2-(3,3-dichloroprop-2-enyl)indazol-6-amine

C10H9Cl2N3 — CID 165468463

IUPAC2-(3,3-dichloroprop-2-enyl)indazol-6-amine
SMILESNc1ccc2cn(CC=C(Cl)Cl)nc2c1
InChIInChI=1S/C10H9Cl2N3/c11-10(12)3-4-15-6-7-1-2-8(13)5-9(7)14-15/h1-3,5-6H,4,13H2
InChIKeyQTUPBTNESFTMRB-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.94
Rot. Bonds2

About 2-(3,3-dichloroprop-2-enyl)indazol-6-amine

2-(3,3-dichloroprop-2-enyl)indazol-6-amine (PubChem CID 165468463) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 2-(3,3-dichloroprop-2-enyl)indazol-6-amine.

Molecular Properties

Compound Name2-(3,3-dichloroprop-2-enyl)indazol-6-amine
PubChem CID165468463
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name2-(3,3-dichloroprop-2-enyl)indazol-6-amine
SMILESNc1ccc2cn(CC=C(Cl)Cl)nc2c1
InChIInChI=1S/C10H9Cl2N3/c11-10(12)3-4-15-6-7-1-2-8(13)5-9(7)14-15/h1-3,5-6H,4,13H2
InChIKeyQTUPBTNESFTMRB-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-butylindazol-6-amine
CID 165468380
2-(propan-2-yloxymethyl)indazol-6-amine
CID 165468375
ethane;2-methylindazol-6-amine
CID 178017314
2-methylindazol-6-amine;dihydrochloride
CID 19354431
2-(5-aminoindazol-2-yl)acetic acid
CID 122637062
2-cyclobutylindazol-6-amine
CID 90309050
[2-[(4-fluorophenyl)methyl]indazol-6-yl]methanol
CID 90133382
(6-aminoquinolin-2-yl)methanol
CID 22763701
2-(cyclopropylmethyl)-6-methylindazole;ethane
CID 145062293
3-fluoro-4-(2-methylindazol-6-yl)oxyaniline
CID 166543843
2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole
CID 59148078
phenazine-2,3,7-triamine
CID 13244876

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dichloroprop-2-enyl)indazol-6-amine?
The IUPAC name of 2-(3,3-dichloroprop-2-enyl)indazol-6-amine (CID 165468463) is 2-(3,3-dichloroprop-2-enyl)indazol-6-amine.
What is the SMILES notation for 2-(3,3-dichloroprop-2-enyl)indazol-6-amine?
The canonical SMILES for 2-(3,3-dichloroprop-2-enyl)indazol-6-amine is Nc1ccc2cn(CC=C(Cl)Cl)nc2c1.
What is the InChIKey of 2-(3,3-dichloroprop-2-enyl)indazol-6-amine?
The InChIKey is QTUPBTNESFTMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-10(12)3-4-15-6-7-1-2-8(13)5-9(7)14-15/h1-3,5-6H,4,13H2.
What are the key properties of 2-(3,3-dichloroprop-2-enyl)indazol-6-amine?
2-(3,3-dichloroprop-2-enyl)indazol-6-amine has a molecular weight of 242.11 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dichloroprop-2-enyl)indazol-6-amine is sourced from PubChem (CID 165468463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).