2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide

C9H7ClFN3O — CID 103892317

IUPAC2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCN(CC#N)C(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C9H7ClFN3O/c1-14(3-2-12)9(15)7-4-6(11)5-13-8(7)10/h4-5H,3H2,1H3
InChIKeyCSGSMKGGFQCZOM-UHFFFAOYSA-N
MW227.63 g/mol
LogP1.47
Rot. Bonds2

About 2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide

2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 103892317) has the molecular formula C9H7ClFN3O and a molecular weight of 227.63 g/mol. Its IUPAC name is 2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide
PubChem CID103892317
Molecular FormulaC9H7ClFN3O
Molecular Weight227.63 g/mol
Exact Mass227.03
IUPAC Name2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCN(CC#N)C(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C9H7ClFN3O/c1-14(3-2-12)9(15)7-4-6(11)5-13-8(7)10/h4-5H,3H2,1H3
InChIKeyCSGSMKGGFQCZOM-UHFFFAOYSA-N
XLogP1.47
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.63
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-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-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034158
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
CID 103817245
2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103893263
2-chloro-5-fluoro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 103893092
2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyridine-3-carboxamide
CID 114034200
2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 103891558
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide
CID 103940090
N-butyl-2-chloro-N-ethyl-5-fluoropyridine-3-carboxamide
CID 103891528
2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide
CID 106500987
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluoropyridine-3-carboxamide
CID 103940270
2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103891975
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide (CID 103892317) is 2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide is CN(CC#N)C(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is CSGSMKGGFQCZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O/c1-14(3-2-12)9(15)7-4-6(11)5-13-8(7)10/h4-5H,3H2,1H3.
What are the key properties of 2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide?
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 227.63 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 103892317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).