4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride

C19H15ClFNO2 — CID 171697581

IUPAC4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride
SMILESCc1cnc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)c(F)c1.Cl
InChIInChI=1S/C19H14FNO2.ClH/c1-12-10-17(20)18(21-11-12)15-6-2-13(3-7-15)14-4-8-16(9-5-14)19(22)23;/h2-11H,1H3,(H,22,23);1H
InChIKeySONWHQMDFJWYNY-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.98
Rot. Bonds3

About 4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride

4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride (PubChem CID 171697581) has the molecular formula C19H15ClFNO2 and a molecular weight of 343.79 g/mol. Its IUPAC name is 4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride
PubChem CID171697581
Molecular FormulaC19H15ClFNO2
Molecular Weight343.79 g/mol
Exact Mass343.08
IUPAC Name4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride
SMILESCc1cnc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)c(F)c1.Cl
InChIInChI=1S/C19H14FNO2.ClH/c1-12-10-17(20)18(21-11-12)15-6-2-13(3-7-15)14-4-8-16(9-5-14)19(22)23;/h2-11H,1H3,(H,22,23);1H
InChIKeySONWHQMDFJWYNY-UHFFFAOYSA-N
XLogP4.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-4,6-dimethylphenyl)benzoic acid
CID 106882157
2-(2-fluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 83918520
6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 82119054
4-methylbenzoic acid;molecular nitrogen;hydrochloride
CID 174650579
4-(2-fluoro-4-pyridinyl)benzoic acid
CID 155289889
6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
sodium 4-methylbenzoic acid
CID 164511663
2-[(5-fluoro-6-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid
CID 25186450

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride?
The IUPAC name of 4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride (CID 171697581) is 4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride.
What is the SMILES notation for 4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride?
The canonical SMILES for 4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride is Cc1cnc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)c(F)c1.Cl.
What is the InChIKey of 4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride?
The InChIKey is SONWHQMDFJWYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2.ClH/c1-12-10-17(20)18(21-11-12)15-6-2-13(3-7-15)14-4-8-16(9-5-14)19(22)23;/h2-11H,1H3,(H,22,23);1H.
What are the key properties of 4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride?
4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride has a molecular weight of 343.79 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride is sourced from PubChem (CID 171697581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).