3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine

C15H10ClFN4 — CID 66696951

IUPAC3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine
SMILESNc1ncc(F)cc1-c1cc(-c2cccnc2)ncc1Cl
InChIInChI=1S/C15H10ClFN4/c16-13-8-20-14(9-2-1-3-19-6-9)5-11(13)12-4-10(17)7-21-15(12)18/h1-8H,(H2,18,21)
InChIKeyWBQDLOCIMBOVEX-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.58
Rot. Bonds2

About 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine

3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine (PubChem CID 66696951) has the molecular formula C15H10ClFN4 and a molecular weight of 300.72 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine.

Molecular Properties

Compound Name3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine
PubChem CID66696951
Molecular FormulaC15H10ClFN4
Molecular Weight300.72 g/mol
Exact Mass300.06
IUPAC Name3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine
SMILESNc1ncc(F)cc1-c1cc(-c2cccnc2)ncc1Cl
InChIInChI=1S/C15H10ClFN4/c16-13-8-20-14(9-2-1-3-19-6-9)5-11(13)12-4-10(17)7-21-15(12)18/h1-8H,(H2,18,21)
InChIKeyWBQDLOCIMBOVEX-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-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine?
The IUPAC name of 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine (CID 66696951) is 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine.
What is the SMILES notation for 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine?
The canonical SMILES for 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine is Nc1ncc(F)cc1-c1cc(-c2cccnc2)ncc1Cl.
What is the InChIKey of 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine?
The InChIKey is WBQDLOCIMBOVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4/c16-13-8-20-14(9-2-1-3-19-6-9)5-11(13)12-4-10(17)7-21-15(12)18/h1-8H,(H2,18,21).
What are the key properties of 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine?
3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-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-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine is sourced from PubChem (CID 66696951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).