2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine

C259H338Cl2F5N31O3 — CID 165000447

IUPAC2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine
SMILESCC(C#N)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(c1ccccn1)C1CC1.CC1(c2ccccn2)CC1.CC1CCCc2cccnc21.CC1CCOc2cccnc21.CC[C@H](C)c1ccccn1.CCc1cc(C)ccn1.CCc1ccc(C)cn1.CCc1ccc(Cl)cn1.CCc1ccc(F)cn1.CCc1cccc(C)n1.CCc1ccccn1.CCc1ncccc1C.C[C@H](c1ccccn1)C(F)(F)F.C[C@H](c1ccccn1)C1CC1.C[C@H](c1ccccn1)C1CC1.C[C@H]1CCCc2cccnc21.C[C@H]1CCCc2cccnc21.C[C@H]1CCOc2cccnc21.C[C@H]1CCOc2cccnc21.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)C.Cc1ccnc(C(C)C)c1
InChIInChI=1S/6C10H13N.3C9H11NO.C9H11N.6C9H13N.C8H10ClN.C8H8F3N.C8H10FN.C8H8N2.7C8H11N.C7H8ClN.C7H8FN.C7H9N/c3*1-8-4-2-5-9-6-3-7-11-10(8)9;3*1-8(9-5-6-9)10-4-2-3-7-11-10;3*1-7-4-6-11-8-3-2-5-10-9(7)8;1-9(5-6-9)8-4-2-3-7-10-8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-9(2,3)8-6-4-5-7-10-8;1-7(2)9-8(3)5-4-6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-3-8(2)9-6-4-5-7-10-9;1-6(2)8-4-3-7(9)5-10-8;1-6(8(9,10)11)7-4-2-3-5-12-7;1-6(2)8-4-3-7(9)5-10-8;1-7(6-9)8-4-2-3-5-10-8;3*1-7(2)8-5-3-4-6-9-8;1-3-8-6-7(2)4-5-9-8;1-3-8-5-4-7(2)6-9-8;1-3-8-7(2)5-4-6-9-8;1-3-8-6-4-5-7(2)9-8;2*1-2-7-4-3-6(8)5-9-7;1-2-7-5-3-4-6-8-7/h3*3,6-8H,2,4-5H2,1H3;3*2-4,7-9H,5-6H2,1H3;3*2-3,5,7H,4,6H2,1H3;2-4,7H,5-6H2,1H3;5*4-7H,1-3H3;4-8H,3H2,1-2H3;3-6H,1-2H3;2-6H,1H3;3-6H,1-2H3;2-5,7H,1H3;3*3-7H,1-2H3;4*4-6H,3H2,1-2H3;2*3-5H,2H2,1H3;3-6H,2H2,1H3/t2*8-;;2*8-;;2*7-;;;;;;;;8-;;6-;;;;;;;;;;;;/m00.00.00.......0.1............/s1
InChIKeyIEGPXLXLMSTJDR-AYWOJNPVSA-N
MW4099.66 g/mol
LogP68.22
Rot. Bonds27

About 2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine

2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine (PubChem CID 165000447) has the molecular formula C259H338Cl2F5N31O3 and a molecular weight of 4099.66 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine
PubChem CID165000447
Molecular FormulaC259H338Cl2F5N31O3
Molecular Weight4099.66 g/mol
Exact Mass4095.65
IUPAC Name2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine
SMILESCC(C#N)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(c1ccccn1)C1CC1.CC1(c2ccccn2)CC1.CC1CCCc2cccnc21.CC1CCOc2cccnc21.CC[C@H](C)c1ccccn1.CCc1cc(C)ccn1.CCc1ccc(C)cn1.CCc1ccc(Cl)cn1.CCc1ccc(F)cn1.CCc1cccc(C)n1.CCc1ccccn1.CCc1ncccc1C.C[C@H](c1ccccn1)C(F)(F)F.C[C@H](c1ccccn1)C1CC1.C[C@H](c1ccccn1)C1CC1.C[C@H]1CCCc2cccnc21.C[C@H]1CCCc2cccnc21.C[C@H]1CCOc2cccnc21.C[C@H]1CCOc2cccnc21.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)C.Cc1ccnc(C(C)C)c1
InChIInChI=1S/6C10H13N.3C9H11NO.C9H11N.6C9H13N.C8H10ClN.C8H8F3N.C8H10FN.C8H8N2.7C8H11N.C7H8ClN.C7H8FN.C7H9N/c3*1-8-4-2-5-9-6-3-7-11-10(8)9;3*1-8(9-5-6-9)10-4-2-3-7-11-10;3*1-7-4-6-11-8-3-2-5-10-9(7)8;1-9(5-6-9)8-4-2-3-7-10-8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-9(2,3)8-6-4-5-7-10-8;1-7(2)9-8(3)5-4-6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-3-8(2)9-6-4-5-7-10-9;1-6(2)8-4-3-7(9)5-10-8;1-6(8(9,10)11)7-4-2-3-5-12-7;1-6(2)8-4-3-7(9)5-10-8;1-7(6-9)8-4-2-3-5-10-8;3*1-7(2)8-5-3-4-6-9-8;1-3-8-6-7(2)4-5-9-8;1-3-8-5-4-7(2)6-9-8;1-3-8-7(2)5-4-6-9-8;1-3-8-6-4-5-7(2)9-8;2*1-2-7-4-3-6(8)5-9-7;1-2-7-5-3-4-6-8-7/h3*3,6-8H,2,4-5H2,1H3;3*2-4,7-9H,5-6H2,1H3;3*2-3,5,7H,4,6H2,1H3;2-4,7H,5-6H2,1H3;5*4-7H,1-3H3;4-8H,3H2,1-2H3;3-6H,1-2H3;2-6H,1H3;3-6H,1-2H3;2-5,7H,1H3;3*3-7H,1-2H3;4*4-6H,3H2,1-2H3;2*3-5H,2H2,1H3;3-6H,2H2,1H3/t2*8-;;2*8-;;2*7-;;;;;;;;8-;;6-;;;;;;;;;;;;/m00.00.00.......0.1............/s1
InChIKeyIEGPXLXLMSTJDR-AYWOJNPVSA-N
XLogP68.22
TPSA438.18 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds27
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004099.66
LogP ≤ 568.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine?
The IUPAC name of 2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine (CID 165000447) is 2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine.
What is the SMILES notation for 2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine?
The canonical SMILES for 2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine is CC(C#N)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(c1ccccn1)C1CC1.CC1(c2ccccn2)CC1.CC1CCCc2cccnc21.CC1CCOc2cccnc21.CC[C@H](C)c1ccccn1.CCc1cc(C)ccn1.CCc1ccc(C)cn1.CCc1ccc(Cl)cn1.CCc1ccc(F)cn1.CCc1cccc(C)n1.CCc1ccccn1.CCc1ncccc1C.C[C@H](c1ccccn1)C(F)(F)F.C[C@H](c1ccccn1)C1CC1.C[C@H](c1ccccn1)C1CC1.C[C@H]1CCCc2cccnc21.C[C@H]1CCCc2cccnc21.C[C@H]1CCOc2cccnc21.C[C@H]1CCOc2cccnc21.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)C.Cc1ccnc(C(C)C)c1.
What is the InChIKey of 2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine?
The InChIKey is IEGPXLXLMSTJDR-AYWOJNPVSA-N. The full InChI is InChI=1S/6C10H13N.3C9H11NO.C9H11N.6C9H13N.C8H10ClN.C8H8F3N.C8H10FN.C8H8N2.7C8H11N.C7H8ClN.C7H8FN.C7H9N/c3*1-8-4-2-5-9-6-3-7-11-10(8)9;3*1-8(9-5-6-9)10-4-2-3-7-11-10;3*1-7-4-6-11-8-3-2-5-10-9(7)8;1-9(5-6-9)8-4-2-3-7-10-8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-9(2,3)8-6-4-5-7-10-8;1-7(2)9-8(3)5-4-6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-3-8(2)9-6-4-5-7-10-9;1-6(2)8-4-3-7(9)5-10-8;1-6(8(9,10)11)7-4-2-3-5-12-7;1-6(2)8-4-3-7(9)5-10-8;1-7(6-9)8-4-2-3-5-10-8;3*1-7(2)8-5-3-4-6-9-8;1-3-8-6-7(2)4-5-9-8;1-3-8-5-4-7(2)6-9-8;1-3-8-7(2)5-4-6-9-8;1-3-8-6-4-5-7(2)9-8;2*1-2-7-4-3-6(8)5-9-7;1-2-7-5-3-4-6-8-7/h3*3,6-8H,2,4-5H2,1H3;3*2-4,7-9H,5-6H2,1H3;3*2-3,5,7H,4,6H2,1H3;2-4,7H,5-6H2,1H3;5*4-7H,1-3H3;4-8H,3H2,1-2H3;3-6H,1-2H3;2-6H,1H3;3-6H,1-2H3;2-5,7H,1H3;3*3-7H,1-2H3;4*4-6H,3H2,1-2H3;2*3-5H,2H2,1H3;3-6H,2H2,1H3/t2*8-;;2*8-;;2*7-;;;;;;;;8-;;6-;;;;;;;;;;;;/m00.00.00.......0.1............/s1.
What are the key properties of 2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine?
2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine has a molecular weight of 4099.66 g/mol, XLogP of 68.22, 27 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]pyridine;2-tert-butylpyridine;5-chloro-2-ethylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-cyclopropylethyl)pyridine;bis(2-[(1S)-1-cyclopropylethyl]pyridine);2-ethyl-5-fluoropyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;2-ethyl-6-methylpyridine;2-ethylpyridine;5-fluoro-2-propan-2-ylpyridine;2-(1-methylcyclopropyl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis((4S)-4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine);2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-8-methyl-5,6,7,8-tetrahydroquinoline);tris(2-propan-2-ylpyridine);(2R)-2-pyridin-2-ylpropanenitrile;2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine is sourced from PubChem (CID 165000447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).