3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine

C10H13ClN4 — CID 165451501

IUPAC3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine
SMILESNc1ncc(Cl)cc1C1=CC(N)CNC1
InChIInChI=1S/C10H13ClN4/c11-7-2-9(10(13)15-4-7)6-1-8(12)5-14-3-6/h1-2,4,8,14H,3,5,12H2,(H2,13,15)
InChIKeyLWHXUKNKXCPESR-UHFFFAOYSA-N
MW224.70 g/mol
LogP0.63
Rot. Bonds1

About 3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine

3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine (PubChem CID 165451501) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is 3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine
PubChem CID165451501
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine
SMILESNc1ncc(Cl)cc1C1=CC(N)CNC1
InChIInChI=1S/C10H13ClN4/c11-7-2-9(10(13)15-4-7)6-1-8(12)5-14-3-6/h1-2,4,8,14H,3,5,12H2,(H2,13,15)
InChIKeyLWHXUKNKXCPESR-UHFFFAOYSA-N
XLogP0.63
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine?
The IUPAC name of 3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine (CID 165451501) is 3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine.
What is the SMILES notation for 3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine?
The canonical SMILES for 3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine is Nc1ncc(Cl)cc1C1=CC(N)CNC1.
What is the InChIKey of 3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine?
The InChIKey is LWHXUKNKXCPESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c11-7-2-9(10(13)15-4-7)6-1-8(12)5-14-3-6/h1-2,4,8,14H,3,5,12H2,(H2,13,15).
What are the key properties of 3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine?
3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine has a molecular weight of 224.70 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,2,3,6-tetrahydropyridin-5-yl)-5-chloropyridin-2-amine is sourced from PubChem (CID 165451501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).