6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid

C14H8FN3O3 — CID 43580818

IUPAC6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESN#Cc1c(F)cccc1NC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H8FN3O3/c15-10-2-1-3-11(9(10)6-16)18-13(19)12-5-4-8(7-17-12)14(20)21/h1-5,7H,(H,18,19)(H,20,21)
InChIKeyUJYLYNFIMDUXFU-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.04
Rot. Bonds3

About 6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid

6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 43580818) has the molecular formula C14H8FN3O3 and a molecular weight of 285.23 g/mol. Its IUPAC name is 6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID43580818
Molecular FormulaC14H8FN3O3
Molecular Weight285.23 g/mol
Exact Mass285.05
IUPAC Name6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESN#Cc1c(F)cccc1NC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H8FN3O3/c15-10-2-1-3-11(9(10)6-16)18-13(19)12-5-4-8(7-17-12)14(20)21/h1-5,7H,(H,18,19)(H,20,21)
InChIKeyUJYLYNFIMDUXFU-UHFFFAOYSA-N
XLogP2.04
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107800327
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
N-(2-cyano-3-fluorophenyl)quinoxaline-2-carboxamide
CID 95763379
6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 62232716
6-amino-N-(2-cyano-3-fluorophenyl)pyridazine-3-carboxamide
CID 62155166
4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 43580727
N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235962
5-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121186
2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide
CID 43580726
N-(2-cyano-3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62240838
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
N-(2-cyano-3-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 43580332

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid (CID 43580818) is 6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid is N#Cc1c(F)cccc1NC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is UJYLYNFIMDUXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O3/c15-10-2-1-3-11(9(10)6-16)18-13(19)12-5-4-8(7-17-12)14(20)21/h1-5,7H,(H,18,19)(H,20,21).
What are the key properties of 6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 285.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43580818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).