2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide

C9H7Cl2F3N2O2 — CID 105056220

IUPAC2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc(Cl)ncc1Cl
InChIInChI=1S/C9H7Cl2F3N2O2/c10-5-2-15-7(11)1-4(5)8(18)16-3-6(17)9(12,13)14/h1-2,6,17H,3H2,(H,16,18)
InChIKeyLTKITBWRFRTKLL-UHFFFAOYSA-N
MW303.07 g/mol
LogP2.04
Rot. Bonds3

About 2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide

2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide (PubChem CID 105056220) has the molecular formula C9H7Cl2F3N2O2 and a molecular weight of 303.07 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide
PubChem CID105056220
Molecular FormulaC9H7Cl2F3N2O2
Molecular Weight303.07 g/mol
Exact Mass301.98
IUPAC Name2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc(Cl)ncc1Cl
InChIInChI=1S/C9H7Cl2F3N2O2/c10-5-2-15-7(11)1-4(5)8(18)16-3-6(17)9(12,13)14/h1-2,6,17H,3H2,(H,16,18)
InChIKeyLTKITBWRFRTKLL-UHFFFAOYSA-N
XLogP2.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.07
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide
CID 114918892
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
4-bromo-2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248495
4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723353
5-chloro-2-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-4-carboxamide
CID 103726319
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 114917190
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867
2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114917304
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113263684

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide (CID 105056220) is 2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide is O=C(NCC(O)C(F)(F)F)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide?
The InChIKey is LTKITBWRFRTKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3N2O2/c10-5-2-15-7(11)1-4(5)8(18)16-3-6(17)9(12,13)14/h1-2,6,17H,3H2,(H,16,18).
What are the key properties of 2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide?
2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide has a molecular weight of 303.07 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105056220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).