2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine

C54H75Cl2FN6O2 — CID 159689880

IUPAC2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine
SMILESCC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(F)nc1.CC(C)c1cnc(Cl)cc1Cl.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C
InChIInChI=1S/C11H17NO.C9H13NO.2C9H13N.C8H9Cl2N.C8H10FN/c1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-5(2)6-4-11-8(10)3-7(6)9;1-6(2)7-3-4-8(9)10-5-7/h5-9H,1-4H3;4-7H,1-3H3;2*4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyMWGSVJHKZTUYDS-UHFFFAOYSA-N
MW930.14 g/mol
LogP16.09
Rot. Bonds9

About 2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine

2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine (PubChem CID 159689880) has the molecular formula C54H75Cl2FN6O2 and a molecular weight of 930.14 g/mol. Its IUPAC name is 2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine
PubChem CID159689880
Molecular FormulaC54H75Cl2FN6O2
Molecular Weight930.14 g/mol
Exact Mass928.53
IUPAC Name2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine
SMILESCC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(F)nc1.CC(C)c1cnc(Cl)cc1Cl.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C
InChIInChI=1S/C11H17NO.C9H13NO.2C9H13N.C8H9Cl2N.C8H10FN/c1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-5(2)6-4-11-8(10)3-7(6)9;1-6(2)7-3-4-8(9)10-5-7/h5-9H,1-4H3;4-7H,1-3H3;2*4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyMWGSVJHKZTUYDS-UHFFFAOYSA-N
XLogP16.09
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.14
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine with MolForge

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Launch Full Analysis

Related Compounds

2-(6-Fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine
CID 102169169
2-(6-Fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine
CID 138963270
2-Chloro-5-[4-(4-ethoxyphenyl)-2-(4-pentylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]butyl]pyridine
CID 88528373
3-(3-Chlorophenyl)-2-(difluoromethoxy)-5-[(6-propoxy-3-pyridinyl)methyl]-6-propylpyridine
CID 123512338
3-(3-Chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine
CID 123788244
3-Chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine
CID 130282948
5-[5-[2-[3-[(4-Tert-butyl-2-pyridinyl)oxy]butyl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-2-fluoro-3-methylpyridine
CID 130388488
(2S)-1,2-bis(4-chlorophenyl)-N,N'-bis[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-2-ylethane-1,2-diamine
CID 137423581
(2R)-1,2-bis(4-chlorophenyl)-N,N'-bis[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine
CID 137423627
(2S)-1,2-bis(4-chlorophenyl)-N,N'-dimethyl-1,2-dipyridin-2-yl-N,N'-bis[[1-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]ethane-1,2-diamine
CID 137423670
CID 137423832
CID 137423832
CID 137423909
CID 137423909

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine?
The IUPAC name of 2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine (CID 159689880) is 2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine.
What is the SMILES notation for 2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine?
The canonical SMILES for 2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine is CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(F)nc1.CC(C)c1cnc(Cl)cc1Cl.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C.
What is the InChIKey of 2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine?
The InChIKey is MWGSVJHKZTUYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C9H13NO.2C9H13N.C8H9Cl2N.C8H10FN/c1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-5(2)6-4-11-8(10)3-7(6)9;1-6(2)7-3-4-8(9)10-5-7/h5-9H,1-4H3;4-7H,1-3H3;2*4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine?
2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine has a molecular weight of 930.14 g/mol, XLogP of 16.09, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine is sourced from PubChem (CID 159689880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).