6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene

C13H17F2N3 — CID 177217180

IUPAC6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene
SMILESCC(C)Cc1cc(C#N)cnc1N.CC=C(F)F
InChIInChI=1S/C10H13N3.C3H4F2/c1-7(2)3-9-4-8(5-11)6-13-10(9)12;1-2-3(4)5/h4,6-7H,3H2,1-2H3,(H2,12,13);2H,1H3
InChIKeyCYYAJQHSUJRHJR-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.52
Rot. Bonds2

About 6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene

6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene (PubChem CID 177217180) has the molecular formula C13H17F2N3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene.

Molecular Properties

Compound Name6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene
PubChem CID177217180
Molecular FormulaC13H17F2N3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene
SMILESCC(C)Cc1cc(C#N)cnc1N.CC=C(F)F
InChIInChI=1S/C10H13N3.C3H4F2/c1-7(2)3-9-4-8(5-11)6-13-10(9)12;1-2-3(4)5/h4,6-7H,3H2,1-2H3,(H2,12,13);2H,1H3
InChIKeyCYYAJQHSUJRHJR-UHFFFAOYSA-N
XLogP3.52
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene?
The IUPAC name of 6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene (CID 177217180) is 6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene.
What is the SMILES notation for 6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene?
The canonical SMILES for 6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene is CC(C)Cc1cc(C#N)cnc1N.CC=C(F)F.
What is the InChIKey of 6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene?
The InChIKey is CYYAJQHSUJRHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C3H4F2/c1-7(2)3-9-4-8(5-11)6-13-10(9)12;1-2-3(4)5/h4,6-7H,3H2,1-2H3,(H2,12,13);2H,1H3.
What are the key properties of 6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene?
6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene has a molecular weight of 253.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene is sourced from PubChem (CID 177217180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).