6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid

C14H10FNO4 — CID 97181116

IUPAC6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid
SMILESCOC(=O)c1ccc(-c2cccc(F)c2)nc1C(=O)O
InChIInChI=1S/C14H10FNO4/c1-20-14(19)10-5-6-11(16-12(10)13(17)18)8-3-2-4-9(15)7-8/h2-7H,1H3,(H,17,18)
InChIKeyOFFGCUKNFSIPPW-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.37
Rot. Bonds3

About 6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid

6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid (PubChem CID 97181116) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid
PubChem CID97181116
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid
SMILESCOC(=O)c1ccc(-c2cccc(F)c2)nc1C(=O)O
InChIInChI=1S/C14H10FNO4/c1-20-14(19)10-5-6-11(16-12(10)13(17)18)8-3-2-4-9(15)7-8/h2-7H,1H3,(H,17,18)
InChIKeyOFFGCUKNFSIPPW-UHFFFAOYSA-N
XLogP2.37
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid
CID 46313709
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate
CID 143289095
methyl 4,6-dichloro-5-(3-fluorophenyl)pyrimidine-2-carboxylate
CID 79440276
methyl 6-cyano-5-fluoro-2-(3-fluorophenyl)pyridine-3-carboxylate
CID 66993018
methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
CID 134280333
methyl 3-methyl-6-phenylpyridine-2-carboxylate
CID 118174962
methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82566978
methyl 2-ethyl-6-(3-methoxyphenyl)pyridine-3-carboxylate
CID 134280348

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid?
The IUPAC name of 6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid (CID 97181116) is 6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid is COC(=O)c1ccc(-c2cccc(F)c2)nc1C(=O)O.
What is the InChIKey of 6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid?
The InChIKey is OFFGCUKNFSIPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c1-20-14(19)10-5-6-11(16-12(10)13(17)18)8-3-2-4-9(15)7-8/h2-7H,1H3,(H,17,18).
What are the key properties of 6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid?
6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid has a molecular weight of 275.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid is sourced from PubChem (CID 97181116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).