1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine

C9H10ClN3O — CID 117302300

IUPAC1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine
SMILESCONCc1cccc2c(Cl)[nH]nc12
InChIInChI=1S/C9H10ClN3O/c1-14-11-5-6-3-2-4-7-8(6)12-13-9(7)10/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyGATIZIBKYHTMBK-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.87
Rot. Bonds3

About 1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine

1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine (PubChem CID 117302300) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine
PubChem CID117302300
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine
SMILESCONCc1cccc2c(Cl)[nH]nc12
InChIInChI=1S/C9H10ClN3O/c1-14-11-5-6-3-2-4-7-8(6)12-13-9(7)10/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyGATIZIBKYHTMBK-UHFFFAOYSA-N
XLogP1.87
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-7-(trifluoromethyl)-2H-indazole
CID 105476798
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine
CID 117390328
7-(3-chloropropyl)-3-methyl-2H-indazole
CID 166949674
methyl 7-(aminomethyl)-2H-indazole-3-carboxylate
CID 84778319
(E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine
CID 117296994
(3-ethyl-2H-indazol-7-yl)methanamine
CID 105436214
1-(2-bromo-3-methylphenyl)-N-methoxymethanamine
CID 117331823
1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117319008
N-methoxy-1-(2-propan-2-ylphenyl)methanamine
CID 82600286
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine?
The IUPAC name of 1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine (CID 117302300) is 1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine is CONCc1cccc2c(Cl)[nH]nc12.
What is the InChIKey of 1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine?
The InChIKey is GATIZIBKYHTMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-14-11-5-6-3-2-4-7-8(6)12-13-9(7)10/h2-4,11H,5H2,1H3,(H,12,13).
What are the key properties of 1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine?
1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine has a molecular weight of 211.65 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine is sourced from PubChem (CID 117302300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).