2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile

C8H6F2N2O — CID 118851957

IUPAC2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
SMILESN#CCc1cncc(O)c1C(F)F
InChIInChI=1S/C8H6F2N2O/c9-8(10)7-5(1-2-11)3-12-4-6(7)13/h3-4,8,13H,1H2
InChIKeyNAYNVZBHAPGBTJ-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.79
Rot. Bonds2

About 2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile

2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile (PubChem CID 118851957) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
PubChem CID118851957
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
SMILESN#CCc1cncc(O)c1C(F)F
InChIInChI=1S/C8H6F2N2O/c9-8(10)7-5(1-2-11)3-12-4-6(7)13/h3-4,8,13H,1H2
InChIKeyNAYNVZBHAPGBTJ-UHFFFAOYSA-N
XLogP1.79
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile
CID 118852004
2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118851080
5-amino-4-(difluoromethyl)pyridin-3-ol
CID 130094642
2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119024402
5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
CID 130077459
2-[6-amino-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 119001800
2-[5-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130073247
2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile
CID 133105690
2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119006914
2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130090374
2-[6-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118832614
2-[6-(difluoromethyl)-5-hydroxy-2-iodo-3-pyridinyl]acetonitrile
CID 118820324

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile (CID 118851957) is 2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile is N#CCc1cncc(O)c1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile?
The InChIKey is NAYNVZBHAPGBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-8(10)7-5(1-2-11)3-12-4-6(7)13/h3-4,8,13H,1H2.
What are the key properties of 2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile?
2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile has a molecular weight of 184.15 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118851957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).