(5-chloro-2H-indazol-3-yl)methanamine;hydrochloride

C8H9Cl2N3 — CID 118212372

IUPAC(5-chloro-2H-indazol-3-yl)methanamine;hydrochloride
SMILESCl.NCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C8H8ClN3.ClH/c9-5-1-2-7-6(3-5)8(4-10)12-11-7;/h1-3H,4,10H2,(H,11,12);1H
InChIKeyMPOSGKLUNWIIRB-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.10
Rot. Bonds1

About (5-chloro-2H-indazol-3-yl)methanamine;hydrochloride

(5-chloro-2H-indazol-3-yl)methanamine;hydrochloride (PubChem CID 118212372) has the molecular formula C8H9Cl2N3 and a molecular weight of 218.09 g/mol. Its IUPAC name is (5-chloro-2H-indazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-2H-indazol-3-yl)methanamine;hydrochloride
PubChem CID118212372
Molecular FormulaC8H9Cl2N3
Molecular Weight218.09 g/mol
Exact Mass217.02
IUPAC Name(5-chloro-2H-indazol-3-yl)methanamine;hydrochloride
SMILESCl.NCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C8H8ClN3.ClH/c9-5-1-2-7-6(3-5)8(4-10)12-11-7;/h1-3H,4,10H2,(H,11,12);1H
InChIKeyMPOSGKLUNWIIRB-UHFFFAOYSA-N
XLogP2.10
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2H-indazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-2H-indazol-3-yl)methanamine;hydrochloride (CID 118212372) is (5-chloro-2H-indazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-2H-indazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-2H-indazol-3-yl)methanamine;hydrochloride is Cl.NCc1[nH]nc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-2H-indazol-3-yl)methanamine;hydrochloride?
The InChIKey is MPOSGKLUNWIIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3.ClH/c9-5-1-2-7-6(3-5)8(4-10)12-11-7;/h1-3H,4,10H2,(H,11,12);1H.
What are the key properties of (5-chloro-2H-indazol-3-yl)methanamine;hydrochloride?
(5-chloro-2H-indazol-3-yl)methanamine;hydrochloride has a molecular weight of 218.09 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2H-indazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 118212372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).