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

C15H10ClFN4 — CID 122508255

IUPAC6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine
SMILESNc1ccc(-c2ccncc2F)c(-c2cncc(Cl)c2)n1
InChIInChI=1S/C15H10ClFN4/c16-10-5-9(6-20-7-10)15-12(1-2-14(18)21-15)11-3-4-19-8-13(11)17/h1-8H,(H2,18,21)
InChIKeyWRSYWTLTAQNERT-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.58
Rot. Bonds2

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

6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine (PubChem CID 122508255) has the molecular formula C15H10ClFN4 and a molecular weight of 300.72 g/mol. Its IUPAC name is 6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine
PubChem CID122508255
Molecular FormulaC15H10ClFN4
Molecular Weight300.72 g/mol
Exact Mass300.06
IUPAC Name6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine
SMILESNc1ccc(-c2ccncc2F)c(-c2cncc(Cl)c2)n1
InChIInChI=1S/C15H10ClFN4/c16-10-5-9(6-20-7-10)15-12(1-2-14(18)21-15)11-3-4-19-8-13(11)17/h1-8H,(H2,18,21)
InChIKeyWRSYWTLTAQNERT-UHFFFAOYSA-N
XLogP3.58
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine (CID 122508255) is 6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine is Nc1ccc(-c2ccncc2F)c(-c2cncc(Cl)c2)n1.
What is the InChIKey of 6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine?
The InChIKey is WRSYWTLTAQNERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4/c16-10-5-9(6-20-7-10)15-12(1-2-14(18)21-15)11-3-4-19-8-13(11)17/h1-8H,(H2,18,21).
What are the key properties of 6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine?
6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine has a molecular weight of 300.72 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-3-pyridinyl)-5-(3-fluoro-4-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 122508255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).