2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide

C12H16ClFN2O2 — CID 114034196

IUPAC2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-8(2)18-5-3-4-15-12(17)10-6-9(14)7-16-11(10)13/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyHWFUGKRGCRDBBH-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.42
Rot. Bonds6

About 2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide

2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide (PubChem CID 114034196) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
PubChem CID114034196
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-8(2)18-5-3-4-15-12(17)10-6-9(14)7-16-11(10)13/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyHWFUGKRGCRDBBH-UHFFFAOYSA-N
XLogP2.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide
CID 103893182
2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
CID 114918195
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
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-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 113347307
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
N-(2-but-3-enoxyethyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114183453
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 113347114
2-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103891420
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide (CID 114034196) is 2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide is CC(C)OCCCNC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
The InChIKey is HWFUGKRGCRDBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-8(2)18-5-3-4-15-12(17)10-6-9(14)7-16-11(10)13/h6-8H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide has a molecular weight of 274.72 g/mol, XLogP of 2.42, 6 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-(3-propan-2-yloxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 114034196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).