6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine

C13H9ClN4O2 — CID 174298070

IUPAC6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ncc12
InChIInChI=1S/C13H9ClN4O2/c1-8-11-7-15-13(14)6-12(11)17(16-8)9-2-4-10(5-3-9)18(19)20/h2-7H,1H3
InChIKeyCBVMBRFEYZXCOM-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.29
Rot. Bonds2

About 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine

6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine (PubChem CID 174298070) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine
PubChem CID174298070
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ncc12
InChIInChI=1S/C13H9ClN4O2/c1-8-11-7-15-13(14)6-12(11)17(16-8)9-2-4-10(5-3-9)18(19)20/h2-7H,1H3
InChIKeyCBVMBRFEYZXCOM-UHFFFAOYSA-N
XLogP3.29
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(4-nitrophenyl)pyrazole
CID 50884208
(5-chloro-2-hydroxyphenyl)-[3-methyl-1-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 1211946
3-methyl-1-(4-nitrophenyl)-1,2,4-triazole
CID 12877065
5-methyl-1-(4-nitrophenyl)pyrazol-3-amine
CID 50999869
(4-nitrophenyl)methyl 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2410197
1-(3-chlorophenyl)-4-methyl-6-[(4-nitrophenyl)methyl]pyrazolo[4,5-d]pyridazin-7-one
CID 16846313
3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
CID 10215228
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016
4-chloro-3-methyl-1-(4-nitrophenyl)-6,7-dihydroindazole-5-carbaldehyde
CID 155979843
2-(2-chloro-5-nitrophenyl)-4-methylphthalazin-1-one
CID 22295506
3-(2,2-dimethylpropyl)-1-(4-nitrophenyl)pyrazol-5-amine
CID 61212313
5-chloro-4-methyl-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
CID 66020715

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine (CID 174298070) is 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine is Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ncc12.
What is the InChIKey of 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine?
The InChIKey is CBVMBRFEYZXCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c1-8-11-7-15-13(14)6-12(11)17(16-8)9-2-4-10(5-3-9)18(19)20/h2-7H,1H3.
What are the key properties of 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine?
6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine has a molecular weight of 288.69 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 174298070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).