6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine

C15H12ClN5 — CID 69294273

IUPAC6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine
SMILESNc1ccc(-c2ccncc2)c(-c2c(N)cncc2Cl)n1
InChIInChI=1S/C15H12ClN5/c16-11-7-20-8-12(17)14(11)15-10(1-2-13(18)21-15)9-3-5-19-6-4-9/h1-8H,17H2,(H2,18,21)
InChIKeyVFOXCRBDEBDWJB-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.02
Rot. Bonds2

About 6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine

6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine (PubChem CID 69294273) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine
PubChem CID69294273
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine
SMILESNc1ccc(-c2ccncc2)c(-c2c(N)cncc2Cl)n1
InChIInChI=1S/C15H12ClN5/c16-11-7-20-8-12(17)14(11)15-10(1-2-13(18)21-15)9-3-5-19-6-4-9/h1-8H,17H2,(H2,18,21)
InChIKeyVFOXCRBDEBDWJB-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-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine?
The IUPAC name of 6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine (CID 69294273) is 6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine.
What is the SMILES notation for 6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine?
The canonical SMILES for 6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine is Nc1ccc(-c2ccncc2)c(-c2c(N)cncc2Cl)n1.
What is the InChIKey of 6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine?
The InChIKey is VFOXCRBDEBDWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c16-11-7-20-8-12(17)14(11)15-10(1-2-13(18)21-15)9-3-5-19-6-4-9/h1-8H,17H2,(H2,18,21).
What are the key properties of 6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine?
6-(3-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine 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-amino-5-chloro-4-pyridinyl)-5-pyridin-4-ylpyridin-2-amine is sourced from PubChem (CID 69294273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).