2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide

C10H9ClN4O3 — CID 75442417

IUPAC2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21
InChIInChI=1S/C10H9ClN4O3/c1-12-9(16)5-14-10-6(4-13-14)2-7(15(17)18)3-8(10)11/h2-4H,5H2,1H3,(H,12,16)
InChIKeyKHGSPDDCJZMRIY-UHFFFAOYSA-N
MW268.66 g/mol
LogP1.34
Rot. Bonds3

About 2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide

2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide (PubChem CID 75442417) has the molecular formula C10H9ClN4O3 and a molecular weight of 268.66 g/mol. Its IUPAC name is 2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide
PubChem CID75442417
Molecular FormulaC10H9ClN4O3
Molecular Weight268.66 g/mol
Exact Mass268.04
IUPAC Name2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21
InChIInChI=1S/C10H9ClN4O3/c1-12-9(16)5-14-10-6(4-13-14)2-7(15(17)18)3-8(10)11/h2-4H,5H2,1H3,(H,12,16)
InChIKeyKHGSPDDCJZMRIY-UHFFFAOYSA-N
XLogP1.34
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(1H-indazol-1-yl)acetamide
CID 20885359
2-(5-Nitroindazol-1-yl)acetohydrazide
CID 46934769
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46934920
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46934921
3-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 52006466
2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 6625503
N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide
CID 134422963
2-[3-(3-aminocyclobutyl)-5-nitroindazol-1-yl]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide
CID 175764444
N-(3-chloro-4-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 18134570
N-(3-chloro-4-fluorophenyl)-2-(3-methyl-5-nitroindazol-1-yl)acetamide
CID 71847555
2-chloro-6-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-nitroaniline
CID 133526892
N-(2,3-dichlorophenyl)-2-{5-nitro-1H-indazol-1-yl}acetamide
CID 1205869

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide (CID 75442417) is 2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide is CNC(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21.
What is the InChIKey of 2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide?
The InChIKey is KHGSPDDCJZMRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O3/c1-12-9(16)5-14-10-6(4-13-14)2-7(15(17)18)3-8(10)11/h2-4H,5H2,1H3,(H,12,16).
What are the key properties of 2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide?
2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide has a molecular weight of 268.66 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 75442417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).