2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid

C19H11ClN2O2 — CID 125493551

IUPAC2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid
SMILESN#Cc1cc(-c2cc(C(=O)O)ccn2)ccc1-c1cccc(Cl)c1
InChIInChI=1S/C19H11ClN2O2/c20-16-3-1-2-12(9-16)17-5-4-13(8-15(17)11-21)18-10-14(19(23)24)6-7-22-18/h1-10H,(H,23,24)
InChIKeyGBAFPTRHABNZTF-UHFFFAOYSA-N
MW334.76 g/mol
LogP4.64
Rot. Bonds3

About 2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid

2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid (PubChem CID 125493551) has the molecular formula C19H11ClN2O2 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid
PubChem CID125493551
Molecular FormulaC19H11ClN2O2
Molecular Weight334.76 g/mol
Exact Mass334.05
IUPAC Name2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid
SMILESN#Cc1cc(-c2cc(C(=O)O)ccn2)ccc1-c1cccc(Cl)c1
InChIInChI=1S/C19H11ClN2O2/c20-16-3-1-2-12(9-16)17-5-4-13(8-15(17)11-21)18-10-14(19(23)24)6-7-22-18/h1-10H,(H,23,24)
InChIKeyGBAFPTRHABNZTF-UHFFFAOYSA-N
XLogP4.64
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-cyanophenyl)benzoic acid
CID 53218380
4-(3-chlorophenyl)-3-hydroxybenzoic acid
CID 53225819
2-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid
CID 11616351
2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid
CID 45376372
6-(3-chlorophenyl)pyridine-3-carboxylic acid
CID 24729969
methyl 2-[3-cyano-4-(1H-pyrrol-3-yl)phenyl]pyridine-4-carboxylate
CID 66995130
3-(4-chlorophenyl)benzoic acid
CID 2757419
5-chloro-2-(6-nitro-3-pyridinyl)benzonitrile
CID 139893416
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
nitrous acid;2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 175527082
3-(3-chloro-4-phenylphenyl)benzoic acid
CID 68550089
3-[3-(3-carboxyphenyl)-6-chloroquinoxalin-2-yl]benzoic acid
CID 139724557

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid (CID 125493551) is 2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid is N#Cc1cc(-c2cc(C(=O)O)ccn2)ccc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid?
The InChIKey is GBAFPTRHABNZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O2/c20-16-3-1-2-12(9-16)17-5-4-13(8-15(17)11-21)18-10-14(19(23)24)6-7-22-18/h1-10H,(H,23,24).
What are the key properties of 2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid?
2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid has a molecular weight of 334.76 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 125493551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).