2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide

C12H12ClFN4O — CID 113347114

IUPAC2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1cc(F)cnc1Cl
InChIInChI=1S/C12H12ClFN4O/c13-11-10(7-9(14)8-16-11)12(19)15-3-1-5-18-6-2-4-17-18/h2,4,6-8H,1,3,5H2,(H,15,19)
InChIKeyDOJJQPJGMHFONY-UHFFFAOYSA-N
MW282.71 g/mol
LogP1.89
Rot. Bonds5

About 2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide

2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 113347114) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
PubChem CID113347114
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1cc(F)cnc1Cl
InChIInChI=1S/C12H12ClFN4O/c13-11-10(7-9(14)8-16-11)12(19)15-3-1-5-18-6-2-4-17-18/h2,4,6-8H,1,3,5H2,(H,15,19)
InChIKeyDOJJQPJGMHFONY-UHFFFAOYSA-N
XLogP1.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462
2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393425
4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112701067
2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide
CID 103893182
2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 114034196
4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115686657
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19479469
2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 103939963
5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 114089447
2-chloro-5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 114034294
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide (CID 113347114) is 2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide is O=C(NCCCn1cccn1)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is DOJJQPJGMHFONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c13-11-10(7-9(14)8-16-11)12(19)15-3-1-5-18-6-2-4-17-18/h2,4,6-8H,1,3,5H2,(H,15,19).
What are the key properties of 2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 282.71 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 113347114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).