1-[(2-chloro-5-nitrophenyl)methyl]indazole

C14H10ClN3O2 — CID 62140370

IUPAC1-[(2-chloro-5-nitrophenyl)methyl]indazole
SMILESO=[N+]([O-])c1ccc(Cl)c(Cn2ncc3ccccc32)c1
InChIInChI=1S/C14H10ClN3O2/c15-13-6-5-12(18(19)20)7-11(13)9-17-14-4-2-1-3-10(14)8-16-17/h1-8H,9H2
InChIKeyWTRYTOOFENLHJM-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.65
Rot. Bonds3

About 1-[(2-chloro-5-nitrophenyl)methyl]indazole

1-[(2-chloro-5-nitrophenyl)methyl]indazole (PubChem CID 62140370) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 1-[(2-chloro-5-nitrophenyl)methyl]indazole.

Molecular Properties

Compound Name1-[(2-chloro-5-nitrophenyl)methyl]indazole
PubChem CID62140370
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name1-[(2-chloro-5-nitrophenyl)methyl]indazole
SMILESO=[N+]([O-])c1ccc(Cl)c(Cn2ncc3ccccc32)c1
InChIInChI=1S/C14H10ClN3O2/c15-13-6-5-12(18(19)20)7-11(13)9-17-14-4-2-1-3-10(14)8-16-17/h1-8H,9H2
InChIKeyWTRYTOOFENLHJM-UHFFFAOYSA-N
XLogP3.65
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-[(3,6-dichloro-2-pyridinyl)methyl]-6-nitroindazole
CID 62892546
1-[(2-chloro-5-nitrophenyl)methyl]-4-nitropyrazole
CID 43169178
[1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol
CID 118108475
1-[(2-chloro-5-nitrophenyl)methyl]-3,4,5-trimethylpyrazole
CID 61226749
3-chloro-4-(indazol-1-ylmethyl)benzoic acid
CID 102670055
1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole
CID 79246153
1-[(4-tert-butylphenyl)methyl]-6-nitroindazole
CID 16796352
6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
CID 79233120
1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione
CID 43169169
1-[(2-chloro-5-nitrophenyl)methyl]piperidine
CID 43350269
1-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-4-nitrobenzene
CID 43169240
1-(5-chloropentyl)-6-nitroindazole
CID 43348333

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-nitrophenyl)methyl]indazole?
The IUPAC name of 1-[(2-chloro-5-nitrophenyl)methyl]indazole (CID 62140370) is 1-[(2-chloro-5-nitrophenyl)methyl]indazole.
What is the SMILES notation for 1-[(2-chloro-5-nitrophenyl)methyl]indazole?
The canonical SMILES for 1-[(2-chloro-5-nitrophenyl)methyl]indazole is O=[N+]([O-])c1ccc(Cl)c(Cn2ncc3ccccc32)c1.
What is the InChIKey of 1-[(2-chloro-5-nitrophenyl)methyl]indazole?
The InChIKey is WTRYTOOFENLHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-13-6-5-12(18(19)20)7-11(13)9-17-14-4-2-1-3-10(14)8-16-17/h1-8H,9H2.
What are the key properties of 1-[(2-chloro-5-nitrophenyl)methyl]indazole?
1-[(2-chloro-5-nitrophenyl)methyl]indazole has a molecular weight of 287.71 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-nitrophenyl)methyl]indazole is sourced from PubChem (CID 62140370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).