2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile

C8H4ClF3N2 — CID 130076122

IUPAC2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
SMILESN#Cc1c(CCl)ncc(C(F)F)c1F
InChIInChI=1S/C8H4ClF3N2/c9-1-6-4(2-13)7(10)5(3-14-6)8(11)12/h3,8H,1H2
InChIKeyCYMTVPXZRDPVNS-UHFFFAOYSA-N
MW220.58 g/mol
LogP2.77
Rot. Bonds2

About 2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile

2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile (PubChem CID 130076122) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
PubChem CID130076122
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
SMILESN#Cc1c(CCl)ncc(C(F)F)c1F
InChIInChI=1S/C8H4ClF3N2/c9-1-6-4(2-13)7(10)5(3-14-6)8(11)12/h3,8H,1H2
InChIKeyCYMTVPXZRDPVNS-UHFFFAOYSA-N
XLogP2.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 118827119
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
CID 130075927
2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079122
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080662
ethyl 2-[2-(chloromethyl)-3-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 133106345
2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
CID 118816708
2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118810078
5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile
CID 130077533
2-(cyanomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077493
2-[5-(difluoromethyl)-4-fluoro-3-hydroxy-2-pyridinyl]acetonitrile
CID 130079552
2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130109640
2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130077319

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The IUPAC name of 2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile (CID 130076122) is 2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The canonical SMILES for 2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile is N#Cc1c(CCl)ncc(C(F)F)c1F.
What is the InChIKey of 2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The InChIKey is CYMTVPXZRDPVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c9-1-6-4(2-13)7(10)5(3-14-6)8(11)12/h3,8H,1H2.
What are the key properties of 2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile has a molecular weight of 220.58 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 130076122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).