2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid

C14H12FNO2 — CID 46314279

IUPAC2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(-c2ccc(F)cc2)cnc1CC(=O)O
InChIInChI=1S/C14H12FNO2/c1-9-6-11(8-16-13(9)7-14(17)18)10-2-4-12(15)5-3-10/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyUPPDAFNDQMWUHT-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.82
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid

2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid (PubChem CID 46314279) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
PubChem CID46314279
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(-c2ccc(F)cc2)cnc1CC(=O)O
InChIInChI=1S/C14H12FNO2/c1-9-6-11(8-16-13(9)7-14(17)18)10-2-4-12(15)5-3-10/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyUPPDAFNDQMWUHT-UHFFFAOYSA-N
XLogP2.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314255
2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314277
2-[5-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870060
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314266
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
4-(4-fluorophenyl)-2-methylbenzoic acid
CID 46314576
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 59634166
2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine
CID 146292543
2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869717
2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134628691
2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 161344883

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid (CID 46314279) is 2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid is Cc1cc(-c2ccc(F)cc2)cnc1CC(=O)O.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid?
The InChIKey is UPPDAFNDQMWUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-6-11(8-16-13(9)7-14(17)18)10-2-4-12(15)5-3-10/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid?
2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid has a molecular weight of 245.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid is sourced from PubChem (CID 46314279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).