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

C8H9ClN2 — CID 131589354

IUPAC4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
SMILESNc1cnc2c(c1Cl)CCC2
InChIInChI=1S/C8H9ClN2/c9-8-5-2-1-3-7(5)11-4-6(8)10/h4H,1-3,10H2
InChIKeyHRXLRASFGRGVTC-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.81
Rot. Bonds

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

4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine (PubChem CID 131589354) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
PubChem CID131589354
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
SMILESNc1cnc2c(c1Cl)CCC2
InChIInChI=1S/C8H9ClN2/c9-8-5-2-1-3-7(5)11-4-6(8)10/h4H,1-3,10H2
InChIKeyHRXLRASFGRGVTC-UHFFFAOYSA-N
XLogP1.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The IUPAC name of 4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine (CID 131589354) is 4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine.
What is the SMILES notation for 4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The canonical SMILES for 4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine is Nc1cnc2c(c1Cl)CCC2.
What is the InChIKey of 4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The InChIKey is HRXLRASFGRGVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-8-5-2-1-3-7(5)11-4-6(8)10/h4H,1-3,10H2.
What are the key properties of 4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine has a molecular weight of 168.63 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine is sourced from PubChem (CID 131589354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).