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

C15H10ClFN4 — CID 122508225

IUPAC3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine
SMILESNc1nc(-c2cccnc2)c(-c2ccncc2F)cc1Cl
InChIInChI=1S/C15H10ClFN4/c16-12-6-11(10-3-5-20-8-13(10)17)14(21-15(12)18)9-2-1-4-19-7-9/h1-8H,(H2,18,21)
InChIKeyCVGAIRXYTDPRQD-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.58
Rot. Bonds2

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

3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine (PubChem CID 122508225) has the molecular formula C15H10ClFN4 and a molecular weight of 300.72 g/mol. Its IUPAC name is 3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine
PubChem CID122508225
Molecular FormulaC15H10ClFN4
Molecular Weight300.72 g/mol
Exact Mass300.06
IUPAC Name3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine
SMILESNc1nc(-c2cccnc2)c(-c2ccncc2F)cc1Cl
InChIInChI=1S/C15H10ClFN4/c16-12-6-11(10-3-5-20-8-13(10)17)14(21-15(12)18)9-2-1-4-19-7-9/h1-8H,(H2,18,21)
InChIKeyCVGAIRXYTDPRQD-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 3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine (CID 122508225) is 3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine is Nc1nc(-c2cccnc2)c(-c2ccncc2F)cc1Cl.
What is the InChIKey of 3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine?
The InChIKey is CVGAIRXYTDPRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4/c16-12-6-11(10-3-5-20-8-13(10)17)14(21-15(12)18)9-2-1-4-19-7-9/h1-8H,(H2,18,21).
What are the key properties of 3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine?
3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-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 3-chloro-5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 122508225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).