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

C9H9F2N3O — CID 118807286

IUPAC2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)cc(CN)c1O
InChIInChI=1S/C9H9F2N3O/c10-9(11)7-3-5(4-13)8(15)6(14-7)1-2-12/h3,9,15H,1,4,13H2
InChIKeyKBGXVXSXUNNLMV-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.25
Rot. Bonds3

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

2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile (PubChem CID 118807286) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
PubChem CID118807286
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)cc(CN)c1O
InChIInChI=1S/C9H9F2N3O/c10-9(11)7-3-5(4-13)8(15)6(14-7)1-2-12/h3,9,15H,1,4,13H2
InChIKeyKBGXVXSXUNNLMV-UHFFFAOYSA-N
XLogP1.25
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694
2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118845077
2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
CID 118842695
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130072411
2-[2-(aminomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 118825820
2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747
2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070048
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134672673
4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 118818065
2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130088430

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile (CID 118807286) is 2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile is N#CCc1nc(C(F)F)cc(CN)c1O.
What is the InChIKey of 2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile?
The InChIKey is KBGXVXSXUNNLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c10-9(11)7-3-5(4-13)8(15)6(14-7)1-2-12/h3,9,15H,1,4,13H2.
What are the key properties of 2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile?
2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile has a molecular weight of 213.19 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118807286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).