4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile

C9H4F3N3 — CID 134662530

IUPAC4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
SMILESN#CCc1cc(F)nc(C(F)F)c1C#N
InChIInChI=1S/C9H4F3N3/c10-7-3-5(1-2-13)6(4-14)8(15-7)9(11)12/h3,9H,1H2
InChIKeyVHNUHOBPHAILSZ-UHFFFAOYSA-N
MW211.15 g/mol
LogP2.10
Rot. Bonds2

About 4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile

4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile (PubChem CID 134662530) has the molecular formula C9H4F3N3 and a molecular weight of 211.15 g/mol. Its IUPAC name is 4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
PubChem CID134662530
Molecular FormulaC9H4F3N3
Molecular Weight211.15 g/mol
Exact Mass211.04
IUPAC Name4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
SMILESN#CCc1cc(F)nc(C(F)F)c1C#N
InChIInChI=1S/C9H4F3N3/c10-7-3-5(1-2-13)6(4-14)8(15-7)9(11)12/h3,9H,1H2
InChIKeyVHNUHOBPHAILSZ-UHFFFAOYSA-N
XLogP2.10
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(difluoromethyl)-3,6-difluoro-4-pyridinyl]acetonitrile
CID 130099810
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 118832955
2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 118823604
2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
CID 119012339
2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetonitrile
CID 130099811
2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118854439
2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
CID 118837346
2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144
3-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 134675594
2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile
CID 130078321
4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130103555
2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 130081614

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
The IUPAC name of 4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile (CID 134662530) is 4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
The canonical SMILES for 4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile is N#CCc1cc(F)nc(C(F)F)c1C#N.
What is the InChIKey of 4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
The InChIKey is VHNUHOBPHAILSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3/c10-7-3-5(1-2-13)6(4-14)8(15-7)9(11)12/h3,9H,1H2.
What are the key properties of 4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile has a molecular weight of 211.15 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 134662530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).