(4-chloro-1H-indazol-6-yl)methanamine

C8H8ClN3 — CID 117109482

IUPAC(4-chloro-1H-indazol-6-yl)methanamine
SMILESNCc1cc(Cl)c2cn[nH]c2c1
InChIInChI=1S/C8H8ClN3/c9-7-1-5(3-10)2-8-6(7)4-11-12-8/h1-2,4H,3,10H2,(H,11,12)
InChIKeyRCDYVEBVZKKRCJ-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.67
Rot. Bonds1

About (4-chloro-1H-indazol-6-yl)methanamine

(4-chloro-1H-indazol-6-yl)methanamine (PubChem CID 117109482) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is (4-chloro-1H-indazol-6-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1H-indazol-6-yl)methanamine
PubChem CID117109482
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name(4-chloro-1H-indazol-6-yl)methanamine
SMILESNCc1cc(Cl)c2cn[nH]c2c1
InChIInChI=1S/C8H8ClN3/c9-7-1-5(3-10)2-8-6(7)4-11-12-8/h1-2,4H,3,10H2,(H,11,12)
InChIKeyRCDYVEBVZKKRCJ-UHFFFAOYSA-N
XLogP1.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-indazol-6-yl)methanamine?
The IUPAC name of (4-chloro-1H-indazol-6-yl)methanamine (CID 117109482) is (4-chloro-1H-indazol-6-yl)methanamine.
What is the SMILES notation for (4-chloro-1H-indazol-6-yl)methanamine?
The canonical SMILES for (4-chloro-1H-indazol-6-yl)methanamine is NCc1cc(Cl)c2cn[nH]c2c1.
What is the InChIKey of (4-chloro-1H-indazol-6-yl)methanamine?
The InChIKey is RCDYVEBVZKKRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c9-7-1-5(3-10)2-8-6(7)4-11-12-8/h1-2,4H,3,10H2,(H,11,12).
What are the key properties of (4-chloro-1H-indazol-6-yl)methanamine?
(4-chloro-1H-indazol-6-yl)methanamine has a molecular weight of 181.63 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-indazol-6-yl)methanamine is sourced from PubChem (CID 117109482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).