N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C12H14ClF3N2O — CID 62235473

IUPACN-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H14ClF3N2O/c1-2-3-7-18(8-12(14,15)16)11(19)9-5-4-6-10(13)17-9/h4-6H,2-3,7-8H2,1H3
InChIKeyMQXZOBVGMXYRQZ-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.54
Rot. Bonds5

About N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 62235473) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID62235473
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC NameN-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H14ClF3N2O/c1-2-3-7-18(8-12(14,15)16)11(19)9-5-4-6-10(13)17-9/h4-6H,2-3,7-8H2,1H3
InChIKeyMQXZOBVGMXYRQZ-UHFFFAOYSA-N
XLogP3.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.54
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

N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 78883116
N-butyl-2-(3-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 52789665
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883501
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 62234181
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
N-butyl-4-chloro-2-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 52637937
6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558340
N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide
CID 63390828
4-[butyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119181552
3-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 60778389

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 62235473) is N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1cccc(Cl)n1.
What is the InChIKey of N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is MQXZOBVGMXYRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-2-3-7-18(8-12(14,15)16)11(19)9-5-4-6-10(13)17-9/h4-6H,2-3,7-8H2,1H3.
What are the key properties of N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 294.70 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62235473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).