3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine

C13H7F3N6 — CID 162211518

IUPAC3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine
SMILESN#Cc1ncc(F)cc1F.Nc1ncnc2cc(F)cnc12
InChIInChI=1S/C7H5FN4.C6H2F2N2/c8-4-1-5-6(10-2-4)7(9)12-3-11-5;7-4-1-5(8)6(2-9)10-3-4/h1-3H,(H2,9,11,12);1,3H
InChIKeyZSXCUFIAVBGXDH-UHFFFAOYSA-N
MW304.24 g/mol
LogP1.98
Rot. Bonds

About 3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine

3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine (PubChem CID 162211518) has the molecular formula C13H7F3N6 and a molecular weight of 304.24 g/mol. Its IUPAC name is 3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine
PubChem CID162211518
Molecular FormulaC13H7F3N6
Molecular Weight304.24 g/mol
Exact Mass304.07
IUPAC Name3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine
SMILESN#Cc1ncc(F)cc1F.Nc1ncnc2cc(F)cnc12
InChIInChI=1S/C7H5FN4.C6H2F2N2/c8-4-1-5-6(10-2-4)7(9)12-3-11-5;7-4-1-5(8)6(2-9)10-3-4/h1-3H,(H2,9,11,12);1,3H
InChIKeyZSXCUFIAVBGXDH-UHFFFAOYSA-N
XLogP1.98
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine (CID 162211518) is 3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine is N#Cc1ncc(F)cc1F.Nc1ncnc2cc(F)cnc12.
What is the InChIKey of 3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is ZSXCUFIAVBGXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4.C6H2F2N2/c8-4-1-5-6(10-2-4)7(9)12-3-11-5;7-4-1-5(8)6(2-9)10-3-4/h1-3H,(H2,9,11,12);1,3H.
What are the key properties of 3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine?
3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 304.24 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoropyridine-2-carbonitrile;7-fluoropyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 162211518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).