2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide

C9H10ClFN2O — CID 103891263

IUPAC2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C9H10ClFN2O/c1-5(2)13-9(14)7-3-6(11)4-12-8(7)10/h3-5H,1-2H3,(H,13,14)
InChIKeyXJYVRBGTTMFQKA-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.01
Rot. Bonds2

About 2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide

2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 103891263) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
PubChem CID103891263
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C9H10ClFN2O/c1-5(2)13-9(14)7-3-6(11)4-12-8(7)10/h3-5H,1-2H3,(H,13,14)
InChIKeyXJYVRBGTTMFQKA-UHFFFAOYSA-N
XLogP2.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103892342
2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 103892511
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
(2R)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114036625
(2S)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114037285
2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114036486
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103891941
2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide
CID 103892256
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
amino 2-chloro-5-fluoropyridine-3-carboxylate
CID 134381253
2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 114034196

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide (CID 103891263) is 2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is XJYVRBGTTMFQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-5(2)13-9(14)7-3-6(11)4-12-8(7)10/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide?
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 216.64 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 103891263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).