2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C10H9ClF4N2O2 — CID 114034182

IUPAC2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESO=C(c1cc(F)cnc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H9ClF4N2O2/c11-8-7(3-6(12)4-16-8)9(19)17(1-2-18)5-10(13,14)15/h3-4,18H,1-2,5H2
InChIKeyIPWWGZVKHSNZFB-UHFFFAOYSA-N
MW300.64 g/mol
LogP1.87
Rot. Bonds4

About 2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 114034182) has the molecular formula C10H9ClF4N2O2 and a molecular weight of 300.64 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID114034182
Molecular FormulaC10H9ClF4N2O2
Molecular Weight300.64 g/mol
Exact Mass300.03
IUPAC Name2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESO=C(c1cc(F)cnc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H9ClF4N2O2/c11-8-7(3-6(12)4-16-8)9(19)17(1-2-18)5-10(13,14)15/h3-4,18H,1-2,5H2
InChIKeyIPWWGZVKHSNZFB-UHFFFAOYSA-N
XLogP1.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.64
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103857427
3-amino-2,5-difluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107120758
N-butyl-2-chloro-N-ethyl-5-fluoropyridine-3-carboxamide
CID 103891528
4-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486111
2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 113351071
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486134
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 114034963
2-chloro-5-fluoro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 103893092
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034158
4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 113339799
5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 104625736
4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226727

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 114034182) is 2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is O=C(c1cc(F)cnc1Cl)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is IPWWGZVKHSNZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O2/c11-8-7(3-6(12)4-16-8)9(19)17(1-2-18)5-10(13,14)15/h3-4,18H,1-2,5H2.
What are the key properties of 2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 300.64 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 114034182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).