3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid

C14H10FNO4 — CID 53224145

IUPAC3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid
SMILESCOC(=O)c1ccc(-c2cccnc2C(=O)O)cc1F
InChIInChI=1S/C14H10FNO4/c1-20-14(19)10-5-4-8(7-11(10)15)9-3-2-6-16-12(9)13(17)18/h2-7H,1H3,(H,17,18)
InChIKeyYUDQNAIEZLOZQH-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.37
Rot. Bonds3

About 3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid

3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid (PubChem CID 53224145) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid
PubChem CID53224145
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid
SMILESCOC(=O)c1ccc(-c2cccnc2C(=O)O)cc1F
InChIInChI=1S/C14H10FNO4/c1-20-14(19)10-5-4-8(7-11(10)15)9-3-2-6-16-12(9)13(17)18/h2-7H,1H3,(H,17,18)
InChIKeyYUDQNAIEZLOZQH-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

methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate
CID 150115292
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
3-phenylpyridine-2-carboxylic acid
CID 2762789
methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
5-(3-fluoro-4-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53224143
methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate
CID 175067958
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid (CID 53224145) is 3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid is COC(=O)c1ccc(-c2cccnc2C(=O)O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid?
The InChIKey is YUDQNAIEZLOZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c1-20-14(19)10-5-4-8(7-11(10)15)9-3-2-6-16-12(9)13(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid?
3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-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 3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53224145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).