2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide

C8H6Cl2F2N2O — CID 114918745

IUPAC2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
SMILESO=C(NCC(F)F)c1cc(Cl)ncc1Cl
InChIInChI=1S/C8H6Cl2F2N2O/c9-5-2-13-6(10)1-4(5)8(15)14-3-7(11)12/h1-2,7H,3H2,(H,14,15)
InChIKeyCRVTZGSFFDEAJO-UHFFFAOYSA-N
MW255.05 g/mol
LogP2.38
Rot. Bonds3

About 2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide

2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide (PubChem CID 114918745) has the molecular formula C8H6Cl2F2N2O and a molecular weight of 255.05 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
PubChem CID114918745
Molecular FormulaC8H6Cl2F2N2O
Molecular Weight255.05 g/mol
Exact Mass253.98
IUPAC Name2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
SMILESO=C(NCC(F)F)c1cc(Cl)ncc1Cl
InChIInChI=1S/C8H6Cl2F2N2O/c9-5-2-13-6(10)1-4(5)8(15)14-3-7(11)12/h1-2,7H,3H2,(H,14,15)
InChIKeyCRVTZGSFFDEAJO-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 105056220
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242
2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide
CID 114918892
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 114917190
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867
5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
CID 79079697
2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114917304
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114918866
2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
CID 114918195

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide (CID 114918745) is 2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide is O=C(NCC(F)F)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide?
The InChIKey is CRVTZGSFFDEAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2N2O/c9-5-2-13-6(10)1-4(5)8(15)14-3-7(11)12/h1-2,7H,3H2,(H,14,15).
What are the key properties of 2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide?
2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide has a molecular weight of 255.05 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114918745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).