4-chloropyridine-3,5-diamine

C5H6ClN3 — CID 46856283

IUPAC4-chloropyridine-3,5-diamine
SMILESNc1cncc(N)c1Cl
InChIInChI=1S/C5H6ClN3/c6-5-3(7)1-9-2-4(5)8/h1-2H,7-8H2
InChIKeyZREDVNRHGOPLJB-UHFFFAOYSA-N
MW143.58 g/mol
LogP0.90
Rot. Bonds

About 4-chloropyridine-3,5-diamine

4-chloropyridine-3,5-diamine (PubChem CID 46856283) has the molecular formula C5H6ClN3 and a molecular weight of 143.58 g/mol. Its IUPAC name is 4-chloropyridine-3,5-diamine.

Molecular Properties

Compound Name4-chloropyridine-3,5-diamine
PubChem CID46856283
Molecular FormulaC5H6ClN3
Molecular Weight143.58 g/mol
Exact Mass143.03
IUPAC Name4-chloropyridine-3,5-diamine
SMILESNc1cncc(N)c1Cl
InChIInChI=1S/C5H6ClN3/c6-5-3(7)1-9-2-4(5)8/h1-2H,7-8H2
InChIKeyZREDVNRHGOPLJB-UHFFFAOYSA-N
XLogP0.90
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.58
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine-3,5-diamine?
The IUPAC name of 4-chloropyridine-3,5-diamine (CID 46856283) is 4-chloropyridine-3,5-diamine.
What is the SMILES notation for 4-chloropyridine-3,5-diamine?
The canonical SMILES for 4-chloropyridine-3,5-diamine is Nc1cncc(N)c1Cl.
What is the InChIKey of 4-chloropyridine-3,5-diamine?
The InChIKey is ZREDVNRHGOPLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3/c6-5-3(7)1-9-2-4(5)8/h1-2H,7-8H2.
What are the key properties of 4-chloropyridine-3,5-diamine?
4-chloropyridine-3,5-diamine has a molecular weight of 143.58 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridine-3,5-diamine is sourced from PubChem (CID 46856283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).