5-(5-chloro-3-pyridinyl)pyridin-3-amine

C10H8ClN3 — CID 141394727

IUPAC5-(5-chloro-3-pyridinyl)pyridin-3-amine
SMILESNc1cncc(-c2cncc(Cl)c2)c1
InChIInChI=1S/C10H8ClN3/c11-9-1-7(3-13-5-9)8-2-10(12)6-14-4-8/h1-6H,12H2
InChIKeyUPBPVADFXFBBPE-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.38
Rot. Bonds1

About 5-(5-chloro-3-pyridinyl)pyridin-3-amine

5-(5-chloro-3-pyridinyl)pyridin-3-amine (PubChem CID 141394727) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 5-(5-chloro-3-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name5-(5-chloro-3-pyridinyl)pyridin-3-amine
PubChem CID141394727
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name5-(5-chloro-3-pyridinyl)pyridin-3-amine
SMILESNc1cncc(-c2cncc(Cl)c2)c1
InChIInChI=1S/C10H8ClN3/c11-9-1-7(3-13-5-9)8-2-10(12)6-14-4-8/h1-6H,12H2
InChIKeyUPBPVADFXFBBPE-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-pyridinyl)pyridin-3-amine?
The IUPAC name of 5-(5-chloro-3-pyridinyl)pyridin-3-amine (CID 141394727) is 5-(5-chloro-3-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 5-(5-chloro-3-pyridinyl)pyridin-3-amine?
The canonical SMILES for 5-(5-chloro-3-pyridinyl)pyridin-3-amine is Nc1cncc(-c2cncc(Cl)c2)c1.
What is the InChIKey of 5-(5-chloro-3-pyridinyl)pyridin-3-amine?
The InChIKey is UPBPVADFXFBBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c11-9-1-7(3-13-5-9)8-2-10(12)6-14-4-8/h1-6H,12H2.
What are the key properties of 5-(5-chloro-3-pyridinyl)pyridin-3-amine?
5-(5-chloro-3-pyridinyl)pyridin-3-amine has a molecular weight of 205.65 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 141394727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).