2-(3,4-dichloroindazol-2-yl)ethanamine

C9H9Cl2N3 — CID 84726220

IUPAC2-(3,4-dichloroindazol-2-yl)ethanamine
SMILESNCCn1nc2cccc(Cl)c2c1Cl
InChIInChI=1S/C9H9Cl2N3/c10-6-2-1-3-7-8(6)9(11)14(13-7)5-4-12/h1-3H,4-5,12H2
InChIKeyXSGZHHVFCKIHND-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.30
Rot. Bonds2

About 2-(3,4-dichloroindazol-2-yl)ethanamine

2-(3,4-dichloroindazol-2-yl)ethanamine (PubChem CID 84726220) has the molecular formula C9H9Cl2N3 and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-(3,4-dichloroindazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichloroindazol-2-yl)ethanamine
PubChem CID84726220
Molecular FormulaC9H9Cl2N3
Molecular Weight230.10 g/mol
Exact Mass229.02
IUPAC Name2-(3,4-dichloroindazol-2-yl)ethanamine
SMILESNCCn1nc2cccc(Cl)c2c1Cl
InChIInChI=1S/C9H9Cl2N3/c10-6-2-1-3-7-8(6)9(11)14(13-7)5-4-12/h1-3H,4-5,12H2
InChIKeyXSGZHHVFCKIHND-UHFFFAOYSA-N
XLogP2.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-chloroindazol-2-yl)ethanamine
CID 84730235
3,4-dichloro-2-ethylindazole
CID 84723697
3-(3-chloroindazol-2-yl)propan-1-amine
CID 84722992
2-(7-chlorobenzimidazol-1-yl)ethanamine
CID 90908899
3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one
CID 117263724
2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine
CID 84727595
1-(4-chloro-2-ethylindazol-3-yl)-N-methylmethanamine
CID 84725341
2-(7-bromo-3-methylindazol-2-yl)ethanamine
CID 84729164
4-chloro-2-methylindazole-3-sulfonamide
CID 19083177
3-chloro-2,4-dimethylindazole
CID 84718438
14-(2-aminoethyl)-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
CID 46907249
2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine
CID 107495958

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroindazol-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dichloroindazol-2-yl)ethanamine (CID 84726220) is 2-(3,4-dichloroindazol-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichloroindazol-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichloroindazol-2-yl)ethanamine is NCCn1nc2cccc(Cl)c2c1Cl.
What is the InChIKey of 2-(3,4-dichloroindazol-2-yl)ethanamine?
The InChIKey is XSGZHHVFCKIHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7-8(6)9(11)14(13-7)5-4-12/h1-3H,4-5,12H2.
What are the key properties of 2-(3,4-dichloroindazol-2-yl)ethanamine?
2-(3,4-dichloroindazol-2-yl)ethanamine has a molecular weight of 230.10 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroindazol-2-yl)ethanamine is sourced from PubChem (CID 84726220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).