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

C15H13FN2O3 — CID 43566561

IUPAC6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCCc2cccc(F)c2)n1
InChIInChI=1S/C15H13FN2O3/c16-11-4-1-3-10(9-11)7-8-17-14(19)12-5-2-6-13(18-12)15(20)21/h1-6,9H,7-8H2,(H,17,19)(H,20,21)
InChIKeyOOEVXGWUNVVQEV-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.89
Rot. Bonds5

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

6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 43566561) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID43566561
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCCc2cccc(F)c2)n1
InChIInChI=1S/C15H13FN2O3/c16-11-4-1-3-10(9-11)7-8-17-14(19)12-5-2-6-13(18-12)15(20)21/h1-6,9H,7-8H2,(H,17,19)(H,20,21)
InChIKeyOOEVXGWUNVVQEV-UHFFFAOYSA-N
XLogP1.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63615886
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 31799254
2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3789916
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-dicarboxamide
CID 109093462
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid (CID 43566561) is 6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NCCc2cccc(F)c2)n1.
What is the InChIKey of 6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OOEVXGWUNVVQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-11-4-1-3-10(9-11)7-8-17-14(19)12-5-2-6-13(18-12)15(20)21/h1-6,9H,7-8H2,(H,17,19)(H,20,21).
What are the key properties of 6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 288.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43566561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).