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

C10H11F2N3 — CID 130088430

IUPAC2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
SMILESCc1nc(CC#N)c(CN)cc1C(F)F
InChIInChI=1S/C10H11F2N3/c1-6-8(10(11)12)4-7(5-14)9(15-6)2-3-13/h4,10H,2,5,14H2,1H3
InChIKeyFYNUIWJTNURRHR-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.85
Rot. Bonds3

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

2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile (PubChem CID 130088430) has the molecular formula C10H11F2N3 and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
PubChem CID130088430
Molecular FormulaC10H11F2N3
Molecular Weight211.21 g/mol
Exact Mass211.09
IUPAC Name2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
SMILESCc1nc(CC#N)c(CN)cc1C(F)F
InChIInChI=1S/C10H11F2N3/c1-6-8(10(11)12)4-7(5-14)9(15-6)2-3-13/h4,10H,2,5,14H2,1H3
InChIKeyFYNUIWJTNURRHR-UHFFFAOYSA-N
XLogP1.85
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 119024134
2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070048
2-[6-(chloromethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 118826950
[6-(aminomethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 118847964
2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694
2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134683339
2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118825784
2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118807286
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118836861
2-[6-chloro-5-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 119012078
2-[6-bromo-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 119018638

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile (CID 130088430) is 2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile is Cc1nc(CC#N)c(CN)cc1C(F)F.
What is the InChIKey of 2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile?
The InChIKey is FYNUIWJTNURRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-6-8(10(11)12)4-7(5-14)9(15-6)2-3-13/h4,10H,2,5,14H2,1H3.
What are the key properties of 2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile?
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile has a molecular weight of 211.21 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130088430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).