[3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine

C14H12ClN3 — CID 118712908

IUPAC[3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine
SMILESNCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1
InChIInChI=1S/C14H12ClN3/c15-11-5-2-6-12-13(11)14(18-17-12)10-4-1-3-9(7-10)8-16/h1-7H,8,16H2,(H,17,18)
InChIKeyRTCPTVMVVUEHFS-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.34
Rot. Bonds2

About [3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine

[3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine (PubChem CID 118712908) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is [3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine
PubChem CID118712908
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name[3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine
SMILESNCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1
InChIInChI=1S/C14H12ClN3/c15-11-5-2-6-12-13(11)14(18-17-12)10-4-1-3-9(7-10)8-16/h1-7H,8,16H2,(H,17,18)
InChIKeyRTCPTVMVVUEHFS-UHFFFAOYSA-N
XLogP3.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine?
The IUPAC name of [3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine (CID 118712908) is [3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine?
The canonical SMILES for [3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine is NCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1.
What is the InChIKey of [3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine?
The InChIKey is RTCPTVMVVUEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-11-5-2-6-12-13(11)14(18-17-12)10-4-1-3-9(7-10)8-16/h1-7H,8,16H2,(H,17,18).
What are the key properties of [3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine?
[3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine has a molecular weight of 257.72 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-1H-indazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 118712908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).