5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate

C149H150Br2Cl5F16N15O30 — CID 157195083

IUPAC5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate
SMILESCC1CCC(C(=O)Cl)CC1.CC[C@H](C)Nc1ccc(C=O)cc1C(=O)OC.CC[C@H](C)Nc1ccc(O)cc1C(=O)OC.CC[C@H](C)Nc1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)OC.COC(=O)c1cc(C=O)ccc1F.COC[C@H](C)N(C(=O)C1CCC(C)CC1)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O.COC[C@H](C)N(C(=O)c1ccc(Br)cn1)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O.COC[C@H](C)N(C(=O)c1ccc(Cl)cn1)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O.Fc1ncccc1C(F)F.O=C(Cl)c1ccc(Br)cn1.O=C(Cl)c1ccc(Cl)cn1
InChIInChI=1S/C25H29F3N2O5.C23H19BrF3N3O5.C23H19ClF3N3O5.C18H19F3N2O3.C13H17NO3.C12H17NO3.C9H7FO3.C8H13ClO.C6H3BrClNO.C6H3Cl2NO.C6H4F3N/c1-15-6-8-17(9-7-15)23(31)30(16(2)14-34-3)21-11-10-18(13-19(21)24(32)33)35-22-20(25(26,27)28)5-4-12-29-22;2*1-13(12-34-2)30(21(31)18-7-5-14(24)11-29-18)19-8-6-15(10-16(19)22(32)33)35-20-17(23(25,26)27)4-3-9-28-20;1-4-11(2)23-15-8-7-12(10-13(15)17(24)25-3)26-16-14(18(19,20)21)6-5-9-22-16;1-4-9(2)14-12-6-5-10(8-15)7-11(12)13(16)17-3;1-4-8(2)13-11-6-5-9(14)7-10(11)12(15)16-3;1-13-9(12)7-4-6(5-11)2-3-8(7)10;1-6-2-4-7(5-3-6)8(9)10;2*7-4-1-2-5(6(8)10)9-3-4;7-5(8)4-2-1-3-10-6(4)9/h4-5,10-13,15-17H,6-9,14H2,1-3H3,(H,32,33);2*3-11,13H,12H2,1-2H3,(H,32,33);5-11,23H,4H2,1-3H3;5-9,14H,4H2,1-3H3;5-8,13-14H,4H2,1-3H3;2-5H,1H3;6-7H,2-5H2,1H3;2*1-3H;1-3,5H/t15?,16-,17?;2*13-;11-;9-;8-;;;;;/m000000...../s1
InChIKeyAQDNPAXYUGIGPJ-QDMCTWFTSA-N
MW3271.95 g/mol
LogP36.81
Rot. Bonds45

About 5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate

5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate (PubChem CID 157195083) has the molecular formula C149H150Br2Cl5F16N15O30 and a molecular weight of 3271.95 g/mol. Its IUPAC name is 5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate.

Molecular Properties

Compound Name5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate
PubChem CID157195083
Molecular FormulaC149H150Br2Cl5F16N15O30
Molecular Weight3271.95 g/mol
Exact Mass3265.72
IUPAC Name5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate
SMILESCC1CCC(C(=O)Cl)CC1.CC[C@H](C)Nc1ccc(C=O)cc1C(=O)OC.CC[C@H](C)Nc1ccc(O)cc1C(=O)OC.CC[C@H](C)Nc1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)OC.COC(=O)c1cc(C=O)ccc1F.COC[C@H](C)N(C(=O)C1CCC(C)CC1)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O.COC[C@H](C)N(C(=O)c1ccc(Br)cn1)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O.COC[C@H](C)N(C(=O)c1ccc(Cl)cn1)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O.Fc1ncccc1C(F)F.O=C(Cl)c1ccc(Br)cn1.O=C(Cl)c1ccc(Cl)cn1
InChIInChI=1S/C25H29F3N2O5.C23H19BrF3N3O5.C23H19ClF3N3O5.C18H19F3N2O3.C13H17NO3.C12H17NO3.C9H7FO3.C8H13ClO.C6H3BrClNO.C6H3Cl2NO.C6H4F3N/c1-15-6-8-17(9-7-15)23(31)30(16(2)14-34-3)21-11-10-18(13-19(21)24(32)33)35-22-20(25(26,27)28)5-4-12-29-22;2*1-13(12-34-2)30(21(31)18-7-5-14(24)11-29-18)19-8-6-15(10-16(19)22(32)33)35-20-17(23(25,26)27)4-3-9-28-20;1-4-11(2)23-15-8-7-12(10-13(15)17(24)25-3)26-16-14(18(19,20)21)6-5-9-22-16;1-4-9(2)14-12-6-5-10(8-15)7-11(12)13(16)17-3;1-4-8(2)13-11-6-5-9(14)7-10(11)12(15)16-3;1-13-9(12)7-4-6(5-11)2-3-8(7)10;1-6-2-4-7(5-3-6)8(9)10;2*7-4-1-2-5(6(8)10)9-3-4;7-5(8)4-2-1-3-10-6(4)9/h4-5,10-13,15-17H,6-9,14H2,1-3H3,(H,32,33);2*3-11,13H,12H2,1-2H3,(H,32,33);5-11,23H,4H2,1-3H3;5-9,14H,4H2,1-3H3;5-8,13-14H,4H2,1-3H3;2-5H,1H3;6-7H,2-5H2,1H3;2*1-3H;1-3,5H/t15?,16-,17?;2*13-;11-;9-;8-;;;;;/m000000...../s1
InChIKeyAQDNPAXYUGIGPJ-QDMCTWFTSA-N
XLogP36.81
TPSA600.32 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds45
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003271.95
LogP ≤ 536.81
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate?
The IUPAC name of 5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate (CID 157195083) is 5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate.
What is the SMILES notation for 5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate?
The canonical SMILES for 5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate is CC1CCC(C(=O)Cl)CC1.CC[C@H](C)Nc1ccc(C=O)cc1C(=O)OC.CC[C@H](C)Nc1ccc(O)cc1C(=O)OC.CC[C@H](C)Nc1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)OC.COC(=O)c1cc(C=O)ccc1F.COC[C@H](C)N(C(=O)C1CCC(C)CC1)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O.COC[C@H](C)N(C(=O)c1ccc(Br)cn1)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O.COC[C@H](C)N(C(=O)c1ccc(Cl)cn1)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O.Fc1ncccc1C(F)F.O=C(Cl)c1ccc(Br)cn1.O=C(Cl)c1ccc(Cl)cn1.
What is the InChIKey of 5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate?
The InChIKey is AQDNPAXYUGIGPJ-QDMCTWFTSA-N. The full InChI is InChI=1S/C25H29F3N2O5.C23H19BrF3N3O5.C23H19ClF3N3O5.C18H19F3N2O3.C13H17NO3.C12H17NO3.C9H7FO3.C8H13ClO.C6H3BrClNO.C6H3Cl2NO.C6H4F3N/c1-15-6-8-17(9-7-15)23(31)30(16(2)14-34-3)21-11-10-18(13-19(21)24(32)33)35-22-20(25(26,27)28)5-4-12-29-22;2*1-13(12-34-2)30(21(31)18-7-5-14(24)11-29-18)19-8-6-15(10-16(19)22(32)33)35-20-17(23(25,26)27)4-3-9-28-20;1-4-11(2)23-15-8-7-12(10-13(15)17(24)25-3)26-16-14(18(19,20)21)6-5-9-22-16;1-4-9(2)14-12-6-5-10(8-15)7-11(12)13(16)17-3;1-4-8(2)13-11-6-5-9(14)7-10(11)12(15)16-3;1-13-9(12)7-4-6(5-11)2-3-8(7)10;1-6-2-4-7(5-3-6)8(9)10;2*7-4-1-2-5(6(8)10)9-3-4;7-5(8)4-2-1-3-10-6(4)9/h4-5,10-13,15-17H,6-9,14H2,1-3H3,(H,32,33);2*3-11,13H,12H2,1-2H3,(H,32,33);5-11,23H,4H2,1-3H3;5-9,14H,4H2,1-3H3;5-8,13-14H,4H2,1-3H3;2-5H,1H3;6-7H,2-5H2,1H3;2*1-3H;1-3,5H/t15?,16-,17?;2*13-;11-;9-;8-;;;;;/m000000...../s1.
What are the key properties of 5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate?
5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate has a molecular weight of 3271.95 g/mol, XLogP of 36.81, 45 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-2-carbonyl chloride;2-[(5-bromopyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;5-chloropyridine-2-carbonyl chloride;2-[(5-chloropyridine-2-carbonyl)-[(2S)-1-methoxypropan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;3-(difluoromethyl)-2-fluoropyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-formylbenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;4-methylcyclohexane-1-carbonyl chloride;methyl 2-fluoro-5-formylbenzoate is sourced from PubChem (CID 157195083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).