3-(difluoromethoxy)pyridine-4-carbonitrile

C7H4F2N2O — CID 131231725

IUPAC3-(difluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1OC(F)F
InChIInChI=1S/C7H4F2N2O/c8-7(9)12-6-4-11-2-1-5(6)3-10/h1-2,4,7H
InChIKeyBHQPAXUWXDWZCR-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.55
Rot. Bonds2

About 3-(difluoromethoxy)pyridine-4-carbonitrile

3-(difluoromethoxy)pyridine-4-carbonitrile (PubChem CID 131231725) has the molecular formula C7H4F2N2O and a molecular weight of 170.12 g/mol. Its IUPAC name is 3-(difluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethoxy)pyridine-4-carbonitrile
PubChem CID131231725
Molecular FormulaC7H4F2N2O
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name3-(difluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1OC(F)F
InChIInChI=1S/C7H4F2N2O/c8-7(9)12-6-4-11-2-1-5(6)3-10/h1-2,4,7H
InChIKeyBHQPAXUWXDWZCR-UHFFFAOYSA-N
XLogP1.55
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yloxypyridine-4-carbonitrile
CID 91623739
3-butan-2-yloxypyridine-4-carbonitrile
CID 19432811
4-(difluoromethoxy)-3-fluoropyridine
CID 121231957
2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388
3-propoxypyridine-4-carbonitrile
CID 19432765
3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile
CID 113269473
3-(2,4-difluorophenoxy)pyridine-4-carbonitrile
CID 113269432
3-(difluoromethoxy)-5-methylpyridine-4-carbonitrile
CID 131214030
3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile
CID 113269475
3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
CID 114287934
3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile
CID 114287836
3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
CID 126954496

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-(difluoromethoxy)pyridine-4-carbonitrile (CID 131231725) is 3-(difluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(difluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-(difluoromethoxy)pyridine-4-carbonitrile is N#Cc1ccncc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is BHQPAXUWXDWZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O/c8-7(9)12-6-4-11-2-1-5(6)3-10/h1-2,4,7H.
What are the key properties of 3-(difluoromethoxy)pyridine-4-carbonitrile?
3-(difluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 170.12 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 131231725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).