1-(3-chloro-4-pyridinyl)cyclopropan-1-amine

C8H9ClN2 — CID 55297970

IUPAC1-(3-chloro-4-pyridinyl)cyclopropan-1-amine
SMILESNC1(c2ccncc2Cl)CC1
InChIInChI=1S/C8H9ClN2/c9-7-5-11-4-1-6(7)8(10)2-3-8/h1,4-5H,2-3,10H2
InChIKeyKXDPAFVNOYSBSK-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.68
Rot. Bonds1

About 1-(3-chloro-4-pyridinyl)cyclopropan-1-amine

1-(3-chloro-4-pyridinyl)cyclopropan-1-amine (PubChem CID 55297970) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)cyclopropan-1-amine
PubChem CID55297970
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name1-(3-chloro-4-pyridinyl)cyclopropan-1-amine
SMILESNC1(c2ccncc2Cl)CC1
InChIInChI=1S/C8H9ClN2/c9-7-5-11-4-1-6(7)8(10)2-3-8/h1,4-5H,2-3,10H2
InChIKeyKXDPAFVNOYSBSK-UHFFFAOYSA-N
XLogP1.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-pyridinyl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)cyclopropan-1-amine (CID 55297970) is 1-(3-chloro-4-pyridinyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)cyclopropan-1-amine is NC1(c2ccncc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)cyclopropan-1-amine?
The InChIKey is KXDPAFVNOYSBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-7-5-11-4-1-6(7)8(10)2-3-8/h1,4-5H,2-3,10H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)cyclopropan-1-amine?
1-(3-chloro-4-pyridinyl)cyclopropan-1-amine has a molecular weight of 168.63 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)cyclopropan-1-amine is sourced from PubChem (CID 55297970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).