6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide

C14H12BrFN2O — CID 113346688

IUPAC6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1cccc(Br)n1)c1ccccc1F
InChIInChI=1S/C14H12BrFN2O/c1-2-18(12-8-4-3-6-10(12)16)14(19)11-7-5-9-13(15)17-11/h3-9H,2H2,1H3
InChIKeyWKMNUSQNVTYTGR-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.65
Rot. Bonds3

About 6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide

6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 113346688) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID113346688
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1cccc(Br)n1)c1ccccc1F
InChIInChI=1S/C14H12BrFN2O/c1-2-18(12-8-4-3-6-10(12)16)14(19)11-7-5-9-13(15)17-11/h3-9H,2H2,1H3
InChIKeyWKMNUSQNVTYTGR-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62786731
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CID 106544595
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 103889658
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956769
1-(6-bromo-2-pyridinyl)-2-fluorobutan-1-one
CID 118664563
6-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 103874178
3-amino-N-ethyl-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 105069177
6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 103889846
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
CID 81312468
N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
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3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea
CID 100657823

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide (CID 113346688) is 6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide is CCN(C(=O)c1cccc(Br)n1)c1ccccc1F.
What is the InChIKey of 6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is WKMNUSQNVTYTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-2-18(12-8-4-3-6-10(12)16)14(19)11-7-5-9-13(15)17-11/h3-9H,2H2,1H3.
What are the key properties of 6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide?
6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 323.17 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 113346688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).