6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine

C13H12ClN3 — CID 115045696

IUPAC6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine
SMILESNc1cnc(Cl)cc1N1CCc2ccccc21
InChIInChI=1S/C13H12ClN3/c14-13-7-12(10(15)8-16-13)17-6-5-9-3-1-2-4-11(9)17/h1-4,7-8H,5-6,15H2
InChIKeyHFDLPSCKNRFFAF-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.01
Rot. Bonds1

About 6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine

6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine (PubChem CID 115045696) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine
PubChem CID115045696
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine
SMILESNc1cnc(Cl)cc1N1CCc2ccccc21
InChIInChI=1S/C13H12ClN3/c14-13-7-12(10(15)8-16-13)17-6-5-9-3-1-2-4-11(9)17/h1-4,7-8H,5-6,15H2
InChIKeyHFDLPSCKNRFFAF-UHFFFAOYSA-N
XLogP3.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
CID 81440035
1-(3,5-dichlorophenyl)-2,3-dihydroindole
CID 110455009
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 53408255
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine
CID 28809875
6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium
CID 58798115
2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride
CID 12519123
2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline
CID 113325091
[6-(2,3-dihydroindol-1-yl)-4-methyl-3-pyridinyl]methanamine
CID 102545843
methyl 4-amino-3-(2,3-dihydroindol-1-yl)benzoate
CID 82785876
4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide
CID 63360632
1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 61256792

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine?
The IUPAC name of 6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine (CID 115045696) is 6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine?
The canonical SMILES for 6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine is Nc1cnc(Cl)cc1N1CCc2ccccc21.
What is the InChIKey of 6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine?
The InChIKey is HFDLPSCKNRFFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c14-13-7-12(10(15)8-16-13)17-6-5-9-3-1-2-4-11(9)17/h1-4,7-8H,5-6,15H2.
What are the key properties of 6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine?
6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine has a molecular weight of 245.71 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,3-dihydroindol-1-yl)pyridin-3-amine is sourced from PubChem (CID 115045696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).