2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile

C9H10F2N4 — CID 134683339

IUPAC2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(CN)cc(N)c1C(F)F
InChIInChI=1S/C9H10F2N4/c10-9(11)8-6(14)3-5(4-13)15-7(8)1-2-12/h3,9H,1,4,13H2,(H2,14,15)
InChIKeyXQMBWJGVWBCRSE-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.13
Rot. Bonds3

About 2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile

2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 134683339) has the molecular formula C9H10F2N4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID134683339
Molecular FormulaC9H10F2N4
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC Name2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(CN)cc(N)c1C(F)F
InChIInChI=1S/C9H10F2N4/c10-9(11)8-6(14)3-5(4-13)15-7(8)1-2-12/h3,9H,1,4,13H2,(H2,14,15)
InChIKeyXQMBWJGVWBCRSE-UHFFFAOYSA-N
XLogP1.13
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(aminomethyl)-4-bromo-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070026
2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 118817715
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118800135
2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
2-[6-(bromomethyl)-4-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130075144
2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile
CID 130100638
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130088430
2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile
CID 130081079
2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 130104808
2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747
2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694
2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070048

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile (CID 134683339) is 2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(CN)cc(N)c1C(F)F.
What is the InChIKey of 2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is XQMBWJGVWBCRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4/c10-9(11)8-6(14)3-5(4-13)15-7(8)1-2-12/h3,9H,1,4,13H2,(H2,14,15).
What are the key properties of 2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile?
2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 212.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134683339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).