6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid

C14H11FN2O4 — CID 114840542

IUPAC6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCOc1cc(NC(=O)c2ccc(C(=O)O)cn2)ccc1F
InChIInChI=1S/C14H11FN2O4/c1-21-12-6-9(3-4-10(12)15)17-13(18)11-5-2-8(7-16-11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyZHYZVZRYBFTMKR-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.18
Rot. Bonds4

About 6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid

6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 114840542) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID114840542
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCOc1cc(NC(=O)c2ccc(C(=O)O)cn2)ccc1F
InChIInChI=1S/C14H11FN2O4/c1-21-12-6-9(3-4-10(12)15)17-13(18)11-5-2-8(7-16-11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyZHYZVZRYBFTMKR-UHFFFAOYSA-N
XLogP2.18
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3,4-diacetyloxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19877112
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 63998822
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107370115
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
CID 114840722
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600
5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200253

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 114840542) is 6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid is COc1cc(NC(=O)c2ccc(C(=O)O)cn2)ccc1F.
What is the InChIKey of 6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is ZHYZVZRYBFTMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-21-12-6-9(3-4-10(12)15)17-13(18)11-5-2-8(7-16-11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 290.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114840542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).