5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid

C14H12FNO3 — CID 141499725

IUPAC5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid
SMILESCOCc1cc(-c2cccc(F)c2)cnc1C(=O)O
InChIInChI=1S/C14H12FNO3/c1-19-8-11-5-10(7-16-13(11)14(17)18)9-3-2-4-12(15)6-9/h2-7H,8H2,1H3,(H,17,18)
InChIKeyXSUPLSICUKUJOH-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.73
Rot. Bonds4

About 5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid

5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid (PubChem CID 141499725) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid
PubChem CID141499725
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid
SMILESCOCc1cc(-c2cccc(F)c2)cnc1C(=O)O
InChIInChI=1S/C14H12FNO3/c1-19-8-11-5-10(7-16-13(11)14(17)18)9-3-2-4-12(15)6-9/h2-7H,8H2,1H3,(H,17,18)
InChIKeyXSUPLSICUKUJOH-UHFFFAOYSA-N
XLogP2.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fusaric Acid
CID 3442
5-Ethylquinolinic acid
CID 113606
2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester
CID 11745869
2-Benzoylnicotinic acid
CID 824599
5-Ethylpicolinic acid
CID 120375
2-Methyl 2,3-pyridinedicarboxylate
CID 98626
3-Benzoylpyridine-2-carboxylic acid
CID 726941
4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic Acid
CID 893698
5-Cyclohexylpicolinic acid
CID 658651
Picolinic acid, 5-pentyl-
CID 212527
Picolinic acid, 5-heptyl-
CID 212529
Picolinic acid, 5-propyl-
CID 217663

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid (CID 141499725) is 5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid is COCc1cc(-c2cccc(F)c2)cnc1C(=O)O.
What is the InChIKey of 5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid?
The InChIKey is XSUPLSICUKUJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-19-8-11-5-10(7-16-13(11)14(17)18)9-3-2-4-12(15)6-9/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid?
5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid has a molecular weight of 261.25 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-(methoxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 141499725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).