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

C15H9ClF2N4 — CID 122508278

IUPAC3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine
SMILESNc1nc(-c2ccncc2F)c(-c2ccncc2F)cc1Cl
InChIInChI=1S/C15H9ClF2N4/c16-11-5-10(8-1-3-20-6-12(8)17)14(22-15(11)19)9-2-4-21-7-13(9)18/h1-7H,(H2,19,22)
InChIKeyYCOJFUVMAHDXHJ-UHFFFAOYSA-N
MW318.71 g/mol
LogP3.72
Rot. Bonds2

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

3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine (PubChem CID 122508278) has the molecular formula C15H9ClF2N4 and a molecular weight of 318.71 g/mol. Its IUPAC name is 3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine
PubChem CID122508278
Molecular FormulaC15H9ClF2N4
Molecular Weight318.71 g/mol
Exact Mass318.05
IUPAC Name3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine
SMILESNc1nc(-c2ccncc2F)c(-c2ccncc2F)cc1Cl
InChIInChI=1S/C15H9ClF2N4/c16-11-5-10(8-1-3-20-6-12(8)17)14(22-15(11)19)9-2-4-21-7-13(9)18/h1-7H,(H2,19,22)
InChIKeyYCOJFUVMAHDXHJ-UHFFFAOYSA-N
XLogP3.72
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.71
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine?
The IUPAC name of 3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine (CID 122508278) is 3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine is Nc1nc(-c2ccncc2F)c(-c2ccncc2F)cc1Cl.
What is the InChIKey of 3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine?
The InChIKey is YCOJFUVMAHDXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N4/c16-11-5-10(8-1-3-20-6-12(8)17)14(22-15(11)19)9-2-4-21-7-13(9)18/h1-7H,(H2,19,22).
What are the key properties of 3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine?
3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine has a molecular weight of 318.71 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-bis(3-fluoro-4-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 122508278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).