2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile

C10H8F2N4 — CID 118808807

IUPAC2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#CCc1cnc(CN)c(C(F)F)c1C#N
InChIInChI=1S/C10H8F2N4/c11-10(12)9-7(3-14)6(1-2-13)5-16-8(9)4-15/h5,10H,1,4,15H2
InChIKeyDLHGCVAVILVDCS-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.42
Rot. Bonds3

About 2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile

2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile (PubChem CID 118808807) has the molecular formula C10H8F2N4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
PubChem CID118808807
Molecular FormulaC10H8F2N4
Molecular Weight222.20 g/mol
Exact Mass222.07
IUPAC Name2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#CCc1cnc(CN)c(C(F)F)c1C#N
InChIInChI=1S/C10H8F2N4/c11-10(12)9-7(3-14)6(1-2-13)5-16-8(9)4-15/h5,10H,1,4,15H2
InChIKeyDLHGCVAVILVDCS-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

2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile
CID 118825663
2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118831356
4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130103555
2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070050
2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 133084936
5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
CID 130077459
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825547
5-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130108787
2-(cyanomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077493
2-[2-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118836991
3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
CID 130103544
2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119006914

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile (CID 118808807) is 2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile is N#CCc1cnc(CN)c(C(F)F)c1C#N.
What is the InChIKey of 2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile?
The InChIKey is DLHGCVAVILVDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4/c11-10(12)9-7(3-14)6(1-2-13)5-16-8(9)4-15/h5,10H,1,4,15H2.
What are the key properties of 2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile?
2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-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 2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 118808807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).