1-(5-chloro-2-pyridinyl)cyclopropan-1-amine

C8H9ClN2 — CID 55264745

IUPAC1-(5-chloro-2-pyridinyl)cyclopropan-1-amine
SMILESNC1(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C8H9ClN2/c9-6-1-2-7(11-5-6)8(10)3-4-8/h1-2,5H,3-4,10H2
InChIKeyNCIJNZISOQXOPR-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.68
Rot. Bonds1

About 1-(5-chloro-2-pyridinyl)cyclopropan-1-amine

1-(5-chloro-2-pyridinyl)cyclopropan-1-amine (PubChem CID 55264745) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)cyclopropan-1-amine
PubChem CID55264745
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name1-(5-chloro-2-pyridinyl)cyclopropan-1-amine
SMILESNC1(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C8H9ClN2/c9-6-1-2-7(11-5-6)8(10)3-4-8/h1-2,5H,3-4,10H2
InChIKeyNCIJNZISOQXOPR-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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)cyclopropan-1-amine (CID 55264745) is 1-(5-chloro-2-pyridinyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)cyclopropan-1-amine is NC1(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)cyclopropan-1-amine?
The InChIKey is NCIJNZISOQXOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-6-1-2-7(11-5-6)8(10)3-4-8/h1-2,5H,3-4,10H2.
What are the key properties of 1-(5-chloro-2-pyridinyl)cyclopropan-1-amine?
1-(5-chloro-2-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-(5-chloro-2-pyridinyl)cyclopropan-1-amine is sourced from PubChem (CID 55264745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).