3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole

C10H8ClN3O2 — CID 169478390

IUPAC3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole
SMILESO=[N+]([O-])c1ccc2c(C=CCCl)n[nH]c2c1
InChIInChI=1S/C10H8ClN3O2/c11-5-1-2-9-8-4-3-7(14(15)16)6-10(8)13-12-9/h1-4,6H,5H2,(H,12,13)
InChIKeyVYJITMLNUCHMSB-UHFFFAOYSA-N
MW237.65 g/mol
LogP2.72
Rot. Bonds3

About 3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole

3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole (PubChem CID 169478390) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole.

Molecular Properties

Compound Name3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole
PubChem CID169478390
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole
SMILESO=[N+]([O-])c1ccc2c(C=CCCl)n[nH]c2c1
InChIInChI=1S/C10H8ClN3O2/c11-5-1-2-9-8-4-3-7(14(15)16)6-10(8)13-12-9/h1-4,6H,5H2,(H,12,13)
InChIKeyVYJITMLNUCHMSB-UHFFFAOYSA-N
XLogP2.72
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

3-(6-nitro-1H-indazol-3-yl)prop-2-enamide
CID 169482793
2-(3-chloroprop-1-enyl)-1-fluoro-4-nitrobenzene
CID 169477708
3-(5-nitro-2H-indazol-3-yl)prop-2-ene-1-thiol
CID 169455971
1-[3-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-indazol-6-yl]-3-(4-nitrophenyl)urea
CID 54766422
N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline
CID 10286156
N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine
CID 169474370
3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-methyl-N-(3-nitrophenyl)-1H-indazol-6-amine
CID 22978134
6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole
CID 169476513
3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-nitro-1H-indazole
CID 162715701
1-chloro-4-(6-nitro-1H-indol-3-yl)but-3-en-2-one
CID 77040039
3-[2-(1,3-benzodioxol-5-yl)ethenyl]-N-(3-nitrophenyl)-1H-indazol-6-amine
CID 91282547
5-nitro-3-propoxy-1H-indazole
CID 76846129

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole?
The IUPAC name of 3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole (CID 169478390) is 3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole.
What is the SMILES notation for 3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole?
The canonical SMILES for 3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole is O=[N+]([O-])c1ccc2c(C=CCCl)n[nH]c2c1.
What is the InChIKey of 3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole?
The InChIKey is VYJITMLNUCHMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-5-1-2-9-8-4-3-7(14(15)16)6-10(8)13-12-9/h1-4,6H,5H2,(H,12,13).
What are the key properties of 3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole?
3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole has a molecular weight of 237.65 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole is sourced from PubChem (CID 169478390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).