2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile

C9H10F2N4 — CID 134671512

IUPAC2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)c(CN)cc1N
InChIInChI=1S/C9H10F2N4/c10-9(11)8-5(4-13)3-6(14)7(15-8)1-2-12/h3,9H,1,4,13-14H2
InChIKeyDEYRRWKKFDPCDO-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.13
Rot. Bonds3

About 2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile

2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 134671512) has the molecular formula C9H10F2N4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID134671512
Molecular FormulaC9H10F2N4
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC Name2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)c(CN)cc1N
InChIInChI=1S/C9H10F2N4/c10-9(11)8-5(4-13)3-6(14)7(15-8)1-2-12/h3,9H,1,4,13-14H2
InChIKeyDEYRRWKKFDPCDO-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-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070048
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119009096
5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine
CID 130098671
2-[5-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107479
2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134683339
2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 130081614
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118803246
2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694
2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130098006
2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118807286
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130088430

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile (CID 134671512) is 2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(C(F)F)c(CN)cc1N.
What is the InChIKey of 2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is DEYRRWKKFDPCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4/c10-9(11)8-5(4-13)3-6(14)7(15-8)1-2-12/h3,9H,1,4,13-14H2.
What are the key properties of 2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
2-[3-amino-5-(aminomethyl)-6-(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-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134671512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).