4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid

C18H12ClNO2 — CID 68955463

IUPAC4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid
SMILESO=C(O)c1cc(-c2ccccc2)c(Cl)cc1-c1ccccn1
InChIInChI=1S/C18H12ClNO2/c19-16-11-14(17-8-4-5-9-20-17)15(18(21)22)10-13(16)12-6-2-1-3-7-12/h1-11H,(H,21,22)
InChIKeyRFKYNGBPQRGBDQ-UHFFFAOYSA-N
MW309.75 g/mol
LogP4.77
Rot. Bonds3

About 4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid

4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid (PubChem CID 68955463) has the molecular formula C18H12ClNO2 and a molecular weight of 309.75 g/mol. Its IUPAC name is 4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid.

Molecular Properties

Compound Name4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid
PubChem CID68955463
Molecular FormulaC18H12ClNO2
Molecular Weight309.75 g/mol
Exact Mass309.06
IUPAC Name4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid
SMILESO=C(O)c1cc(-c2ccccc2)c(Cl)cc1-c1ccccn1
InChIInChI=1S/C18H12ClNO2/c19-16-11-14(17-8-4-5-9-20-17)15(18(21)22)10-13(16)12-6-2-1-3-7-12/h1-11H,(H,21,22)
InChIKeyRFKYNGBPQRGBDQ-UHFFFAOYSA-N
XLogP4.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
2,3-dimethyl-4-pyridin-2-ylbenzoic acid
CID 175747160
2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
CID 118813611
5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 106988523
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
1,2,4-trichloro-5-phenylbenzene
CID 27514
2-fluoro-5-pyridin-2-ylbenzoic acid
CID 63679251
2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid
CID 90991096
2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 175747170
2-phenylpyridine;propan-2-one
CID 174845023
4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid
CID 110172928
1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43381532

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid?
The IUPAC name of 4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid (CID 68955463) is 4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid.
What is the SMILES notation for 4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid?
The canonical SMILES for 4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid is O=C(O)c1cc(-c2ccccc2)c(Cl)cc1-c1ccccn1.
What is the InChIKey of 4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid?
The InChIKey is RFKYNGBPQRGBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO2/c19-16-11-14(17-8-4-5-9-20-17)15(18(21)22)10-13(16)12-6-2-1-3-7-12/h1-11H,(H,21,22).
What are the key properties of 4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid?
4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid has a molecular weight of 309.75 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid is sourced from PubChem (CID 68955463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).