4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile

C9H4F3N3 — CID 134675025

IUPAC4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
SMILESN#CCc1c(C#N)cnc(F)c1C(F)F
InChIInChI=1S/C9H4F3N3/c10-8(11)7-6(1-2-13)5(3-14)4-15-9(7)12/h4,8H,1H2
InChIKeyDLVHWDPTCZDATG-UHFFFAOYSA-N
MW211.15 g/mol
LogP2.10
Rot. Bonds2

About 4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile

4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile (PubChem CID 134675025) has the molecular formula C9H4F3N3 and a molecular weight of 211.15 g/mol. Its IUPAC name is 4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
PubChem CID134675025
Molecular FormulaC9H4F3N3
Molecular Weight211.15 g/mol
Exact Mass211.04
IUPAC Name4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
SMILESN#CCc1c(C#N)cnc(F)c1C(F)F
InChIInChI=1S/C9H4F3N3/c10-8(11)7-6(1-2-13)5(3-14)4-15-9(7)12/h4,8H,1H2
InChIKeyDLVHWDPTCZDATG-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-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile
CID 130099807
6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119010650
2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile
CID 130081059
4-(cyanomethyl)-5-(difluoromethyl)-6-nitropyridine-3-carbonitrile
CID 133107364
2-[4-(difluoromethyl)-2-fluoro-5-nitro-3-pyridinyl]acetonitrile
CID 118829553
5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile
CID 130076244
5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile
CID 134662387
5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide
CID 134669756
2-[5-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133103967
5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 165344407
2-[3-(difluoromethyl)-5-fluoro-2-nitro-4-pyridinyl]acetonitrile
CID 133105093
2-[2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-4-pyridinyl]acetonitrile
CID 130081759

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
The IUPAC name of 4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile (CID 134675025) is 4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
The canonical SMILES for 4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile is N#CCc1c(C#N)cnc(F)c1C(F)F.
What is the InChIKey of 4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
The InChIKey is DLVHWDPTCZDATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3/c10-8(11)7-6(1-2-13)5(3-14)4-15-9(7)12/h4,8H,1H2.
What are the key properties of 4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
4-(cyanomethyl)-5-(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)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 134675025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).