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

C15H9Cl2FN4 — CID 122508251

IUPAC3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine
SMILESNc1nc(-c2cncc(Cl)c2)c(-c2ccncc2F)cc1Cl
InChIInChI=1S/C15H9Cl2FN4/c16-9-3-8(5-21-6-9)14-11(4-12(17)15(19)22-14)10-1-2-20-7-13(10)18/h1-7H,(H2,19,22)
InChIKeyBQXVPVNIQIMFRO-UHFFFAOYSA-N
MW335.17 g/mol
LogP4.23
Rot. Bonds2

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

3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine (PubChem CID 122508251) has the molecular formula C15H9Cl2FN4 and a molecular weight of 335.17 g/mol. Its IUPAC name is 3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine
PubChem CID122508251
Molecular FormulaC15H9Cl2FN4
Molecular Weight335.17 g/mol
Exact Mass334.02
IUPAC Name3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine
SMILESNc1nc(-c2cncc(Cl)c2)c(-c2ccncc2F)cc1Cl
InChIInChI=1S/C15H9Cl2FN4/c16-9-3-8(5-21-6-9)14-11(4-12(17)15(19)22-14)10-1-2-20-7-13(10)18/h1-7H,(H2,19,22)
InChIKeyBQXVPVNIQIMFRO-UHFFFAOYSA-N
XLogP4.23
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine?
The IUPAC name of 3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine (CID 122508251) is 3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine is Nc1nc(-c2cncc(Cl)c2)c(-c2ccncc2F)cc1Cl.
What is the InChIKey of 3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine?
The InChIKey is BQXVPVNIQIMFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN4/c16-9-3-8(5-21-6-9)14-11(4-12(17)15(19)22-14)10-1-2-20-7-13(10)18/h1-7H,(H2,19,22).
What are the key properties of 3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine?
3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine has a molecular weight of 335.17 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 122508251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).