2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile

C16H10ClN3O — CID 103118551

IUPAC2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile
SMILESN#CC(C(=O)c1cnn2ccccc12)c1ccccc1Cl
InChIInChI=1S/C16H10ClN3O/c17-14-6-2-1-5-11(14)12(9-18)16(21)13-10-19-20-8-4-3-7-15(13)20/h1-8,10,12H
InChIKeySEGKBROVFFNZMD-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.48
Rot. Bonds3

About 2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile

2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile (PubChem CID 103118551) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile
PubChem CID103118551
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile
SMILESN#CC(C(=O)c1cnn2ccccc12)c1ccccc1Cl
InChIInChI=1S/C16H10ClN3O/c17-14-6-2-1-5-11(14)12(9-18)16(21)13-10-19-20-8-4-3-7-15(13)20/h1-8,10,12H
InChIKeySEGKBROVFFNZMD-UHFFFAOYSA-N
XLogP3.48
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)butanenitrile
CID 103118537
2-(2-chlorophenyl)-3-oxo-3-(2,3,4-trifluorophenyl)propanenitrile
CID 79754893
2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 107311580
2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124247
2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile
CID 62503872
N-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882438
3-chloropyrazolo[1,5-a]pyridine
CID 91100935
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 95226525
3-(3-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)-3-oxopropanenitrile
CID 81265843
N-[2-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120132
N-(6-chloro-5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103745233
(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125429

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile?
The IUPAC name of 2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile (CID 103118551) is 2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile?
The canonical SMILES for 2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile is N#CC(C(=O)c1cnn2ccccc12)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile?
The InChIKey is SEGKBROVFFNZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-14-6-2-1-5-11(14)12(9-18)16(21)13-10-19-20-8-4-3-7-15(13)20/h1-8,10,12H.
What are the key properties of 2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile?
2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile has a molecular weight of 295.73 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile is sourced from PubChem (CID 103118551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).