N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C10H9ClF4N2O — CID 107492296

IUPACN-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(c1ccc(F)cn1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C10H9ClF4N2O/c11-3-4-17(6-10(13,14)15)9(18)8-2-1-7(12)5-16-8/h1-2,5H,3-4,6H2
InChIKeyBJKLUQVWFLZTLW-UHFFFAOYSA-N
MW284.64 g/mol
LogP2.46
Rot. Bonds4

About N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 107492296) has the molecular formula C10H9ClF4N2O and a molecular weight of 284.64 g/mol. Its IUPAC name is N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID107492296
Molecular FormulaC10H9ClF4N2O
Molecular Weight284.64 g/mol
Exact Mass284.03
IUPAC NameN-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(c1ccc(F)cn1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C10H9ClF4N2O/c11-3-4-17(6-10(13,14)15)9(18)8-2-1-7(12)5-16-8/h1-2,5H,3-4,6H2
InChIKeyBJKLUQVWFLZTLW-UHFFFAOYSA-N
XLogP2.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.64
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107491968
N-(2-chloroethyl)-N-cyclobutyl-5-fluoropyridine-2-carboxamide
CID 102872801
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107492556
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 63723207
5-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107479775
2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 107492176
N-(2-chloroethyl)-6-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
CID 107491958
N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909425
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126268
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide
CID 63395409
N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 107492227

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 107492296) is N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is O=C(c1ccc(F)cn1)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is BJKLUQVWFLZTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O/c11-3-4-17(6-10(13,14)15)9(18)8-2-1-7(12)5-16-8/h1-2,5H,3-4,6H2.
What are the key properties of N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 284.64 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107492296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).