6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile

C10H8F2N4 — CID 118803246

IUPAC6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1cc(C#N)c(C(F)F)nc1CN
InChIInChI=1S/C10H8F2N4/c11-10(12)9-7(4-14)3-6(1-2-13)8(5-15)16-9/h3,10H,1,5,15H2
InChIKeyHMVVXCSVJXUWEU-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.42
Rot. Bonds3

About 6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile

6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 118803246) has the molecular formula C10H8F2N4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID118803246
Molecular FormulaC10H8F2N4
Molecular Weight222.20 g/mol
Exact Mass222.07
IUPAC Name6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1cc(C#N)c(C(F)F)nc1CN
InChIInChI=1S/C10H8F2N4/c11-10(12)9-7(4-14)3-6(1-2-13)8(5-15)16-9/h3,10H,1,5,15H2
InChIKeyHMVVXCSVJXUWEU-UHFFFAOYSA-N
XLogP1.42
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357
2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070048
2-[5-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107479
2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
CID 118842695
2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 130081614
6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118804577
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile (CID 118803246) is 6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile is N#CCc1cc(C#N)c(C(F)F)nc1CN.
What is the InChIKey of 6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is HMVVXCSVJXUWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4/c11-10(12)9-7(4-14)3-6(1-2-13)8(5-15)16-9/h3,10H,1,5,15H2.
What are the key properties of 6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile?
6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 222.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118803246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).