6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine

C15H12ClN5 — CID 59596001

IUPAC6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine
SMILESNc1cc(-c2ccncc2)c(-c2ccncc2Cl)nc1N
InChIInChI=1S/C15H12ClN5/c16-12-8-20-6-3-10(12)14-11(7-13(17)15(18)21-14)9-1-4-19-5-2-9/h1-8H,17H2,(H2,18,21)
InChIKeyMASIDXFLOOYIMR-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.02
Rot. Bonds2

About 6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine

6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine (PubChem CID 59596001) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine
PubChem CID59596001
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine
SMILESNc1cc(-c2ccncc2)c(-c2ccncc2Cl)nc1N
InChIInChI=1S/C15H12ClN5/c16-12-8-20-6-3-10(12)14-11(7-13(17)15(18)21-14)9-1-4-19-5-2-9/h1-8H,17H2,(H2,18,21)
InChIKeyMASIDXFLOOYIMR-UHFFFAOYSA-N
XLogP3.02
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine?
The IUPAC name of 6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine (CID 59596001) is 6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine.
What is the SMILES notation for 6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine?
The canonical SMILES for 6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine is Nc1cc(-c2ccncc2)c(-c2ccncc2Cl)nc1N.
What is the InChIKey of 6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine?
The InChIKey is MASIDXFLOOYIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c16-12-8-20-6-3-10(12)14-11(7-13(17)15(18)21-14)9-1-4-19-5-2-9/h1-8H,17H2,(H2,18,21).
What are the key properties of 6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine?
6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine has a molecular weight of 297.75 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-pyridinyl)-5-pyridin-4-ylpyridine-2,3-diamine is sourced from PubChem (CID 59596001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).