3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

C14H12Cl2N2 — CID 90338520

IUPAC3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESNc1c(Cl)c(-c2cccc(Cl)c2)nc2c1CCC2
InChIInChI=1S/C14H12Cl2N2/c15-9-4-1-3-8(7-9)14-12(16)13(17)10-5-2-6-11(10)18-14/h1,3-4,7H,2,5-6H2,(H2,17,18)
InChIKeyROXAAYYVFJKZBQ-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.13
Rot. Bonds1

About 3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (PubChem CID 90338520) has the molecular formula C14H12Cl2N2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
PubChem CID90338520
Molecular FormulaC14H12Cl2N2
Molecular Weight279.17 g/mol
Exact Mass278.04
IUPAC Name3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESNc1c(Cl)c(-c2cccc(Cl)c2)nc2c1CCC2
InChIInChI=1S/C14H12Cl2N2/c15-9-4-1-3-8(7-9)14-12(16)13(17)10-5-2-6-11(10)18-14/h1,3-4,7H,2,5-6H2,(H2,17,18)
InChIKeyROXAAYYVFJKZBQ-UHFFFAOYSA-N
XLogP4.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The IUPAC name of 3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (CID 90338520) is 3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.
What is the SMILES notation for 3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The canonical SMILES for 3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is Nc1c(Cl)c(-c2cccc(Cl)c2)nc2c1CCC2.
What is the InChIKey of 3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The InChIKey is ROXAAYYVFJKZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2/c15-9-4-1-3-8(7-9)14-12(16)13(17)10-5-2-6-11(10)18-14/h1,3-4,7H,2,5-6H2,(H2,17,18).
What are the key properties of 3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine has a molecular weight of 279.17 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is sourced from PubChem (CID 90338520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).