5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine

C7H10ClN3 — CID 55273606

IUPAC5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine
SMILESC[C@@H](N)c1cc(N)cnc1Cl
InChIInChI=1S/C7H10ClN3/c1-4(9)6-2-5(10)3-11-7(6)8/h2-4H,9-10H2,1H3/t4-/m1/s1
InChIKeyJWTKSGQZVUEBGW-SCSAIBSYSA-N
MW171.63 g/mol
LogP1.34
Rot. Bonds1

About 5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine

5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine (PubChem CID 55273606) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine.

Molecular Properties

Compound Name5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine
PubChem CID55273606
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine
SMILESC[C@@H](N)c1cc(N)cnc1Cl
InChIInChI=1S/C7H10ClN3/c1-4(9)6-2-5(10)3-11-7(6)8/h2-4H,9-10H2,1H3/t4-/m1/s1
InChIKeyJWTKSGQZVUEBGW-SCSAIBSYSA-N
XLogP1.34
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine?
The IUPAC name of 5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine (CID 55273606) is 5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine.
What is the SMILES notation for 5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine?
The canonical SMILES for 5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine is C[C@@H](N)c1cc(N)cnc1Cl.
What is the InChIKey of 5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine?
The InChIKey is JWTKSGQZVUEBGW-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-4(9)6-2-5(10)3-11-7(6)8/h2-4H,9-10H2,1H3/t4-/m1/s1.
What are the key properties of 5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine?
5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine has a molecular weight of 171.63 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine is sourced from PubChem (CID 55273606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).