3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid

C13H10FNO2 — CID 150942851

IUPAC3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Cc1ccc(F)cc1
InChIInChI=1S/C13H10FNO2/c14-11-3-1-9(2-4-11)7-10-8-15-6-5-12(10)13(16)17/h1-6,8H,7H2,(H,16,17)
InChIKeyLIKMSPQRGZRZMY-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.51
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid

3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid (PubChem CID 150942851) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid
PubChem CID150942851
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Cc1ccc(F)cc1
InChIInChI=1S/C13H10FNO2/c14-11-3-1-9(2-4-11)7-10-8-15-6-5-12(10)13(16)17/h1-6,8H,7H2,(H,16,17)
InChIKeyLIKMSPQRGZRZMY-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
4-(4-fluorobenzoyl)pyridine-3-carboxylic acid
CID 10752867
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
2-benzyl-4-fluorobenzoic acid
CID 68960960
3-(2,2,2-trichloroethyl)pyridine-4-carboxylic acid
CID 56979701
3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 147466873
4-fluoropyridine-3-carboxylic acid
CID 2762936
2-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801
4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid (CID 150942851) is 3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid is O=C(O)c1ccncc1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid?
The InChIKey is LIKMSPQRGZRZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-11-3-1-9(2-4-11)7-10-8-15-6-5-12(10)13(16)17/h1-6,8H,7H2,(H,16,17).
What are the key properties of 3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid?
3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid has a molecular weight of 231.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 150942851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).