2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide

C11H14ClFN2O2 — CID 103892342

IUPAC2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
SMILESCOCCC(C)NC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C11H14ClFN2O2/c1-7(3-4-17-2)15-11(16)9-5-8(13)6-14-10(9)12/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyZXYWMXZGHSUKSD-UHFFFAOYSA-N
MW260.70 g/mol
LogP2.03
Rot. Bonds5

About 2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide

2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide (PubChem CID 103892342) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
PubChem CID103892342
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
SMILESCOCCC(C)NC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C11H14ClFN2O2/c1-7(3-4-17-2)15-11(16)9-5-8(13)6-14-10(9)12/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyZXYWMXZGHSUKSD-UHFFFAOYSA-N
XLogP2.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 103892511
(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-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 62722481
2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103885347
1-chloro-N-(4-methoxybutan-2-yl)isoquinoline-4-carboxamide
CID 106766226
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 114034196
2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide
CID 103892256
2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide
CID 103893182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide (CID 103892342) is 2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide is COCCC(C)NC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide?
The InChIKey is ZXYWMXZGHSUKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-7(3-4-17-2)15-11(16)9-5-8(13)6-14-10(9)12/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide?
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide has a molecular weight of 260.70 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103892342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).