2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C10H8ClFN4O — CID 103891962

IUPAC2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(NC(=O)c2cc(F)cnc2Cl)cn1
InChIInChI=1S/C10H8ClFN4O/c1-16-5-7(4-14-16)15-10(17)8-2-6(12)3-13-9(8)11/h2-5H,1H3,(H,15,17)
InChIKeyKWESYFBGBHYIHW-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.86
Rot. Bonds2

About 2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 103891962) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID103891962
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(NC(=O)c2cc(F)cnc2Cl)cn1
InChIInChI=1S/C10H8ClFN4O/c1-16-5-7(4-14-16)15-10(17)8-2-6(12)3-13-9(8)11/h2-5H,1H3,(H,15,17)
InChIKeyKWESYFBGBHYIHW-UHFFFAOYSA-N
XLogP1.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 114034924
N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 32605512
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
CID 114034323
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114034261
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 103893174
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 103891962) is 2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(NC(=O)c2cc(F)cnc2Cl)cn1.
What is the InChIKey of 2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is KWESYFBGBHYIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c1-16-5-7(4-14-16)15-10(17)8-2-6(12)3-13-9(8)11/h2-5H,1H3,(H,15,17).
What are the key properties of 2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 254.65 g/mol, XLogP of 1.86, 2 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-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103891962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).