2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide

C12H16ClFN2O — CID 103892511

IUPAC2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(F)cnc1Cl)C(C)(C)C
InChIInChI=1S/C12H16ClFN2O/c1-7(12(2,3)4)16-11(17)9-5-8(14)6-15-10(9)13/h5-7H,1-4H3,(H,16,17)
InChIKeyZGCHXWKKPCYVQB-UHFFFAOYSA-N
MW258.72 g/mol
LogP3.04
Rot. Bonds2

About 2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide

2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide (PubChem CID 103892511) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide
PubChem CID103892511
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(F)cnc1Cl)C(C)(C)C
InChIInChI=1S/C12H16ClFN2O/c1-7(12(2,3)4)16-11(17)9-5-8(14)6-15-10(9)13/h5-7H,1-4H3,(H,16,17)
InChIKeyZGCHXWKKPCYVQB-UHFFFAOYSA-N
XLogP3.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-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-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103892342
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
(2R)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114036625
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103891941
2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114036486
(2S)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114037285
2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide
CID 103892256
N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103892535
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
N-[(4-tert-butylphenyl)methyl]-2-chloro-5-fluoropyridine-3-carboxamide
CID 141112044

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide (CID 103892511) is 2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide is CC(NC(=O)c1cc(F)cnc1Cl)C(C)(C)C.
What is the InChIKey of 2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide?
The InChIKey is ZGCHXWKKPCYVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-7(12(2,3)4)16-11(17)9-5-8(14)6-15-10(9)13/h5-7H,1-4H3,(H,16,17).
What are the key properties of 2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide?
2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide has a molecular weight of 258.72 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 103892511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).