5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile

C8H4BrClF2N2 — CID 130071152

IUPAC5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(CBr)cnc(C(F)F)c1Cl
InChIInChI=1S/C8H4BrClF2N2/c9-1-4-3-14-7(8(11)12)6(10)5(4)2-13/h3,8H,1H2
InChIKeyNALJDUNAKGEMNZ-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.44
Rot. Bonds2

About 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile

5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile (PubChem CID 130071152) has the molecular formula C8H4BrClF2N2 and a molecular weight of 281.49 g/mol. Its IUPAC name is 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
PubChem CID130071152
Molecular FormulaC8H4BrClF2N2
Molecular Weight281.49 g/mol
Exact Mass279.92
IUPAC Name5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(CBr)cnc(C(F)F)c1Cl
InChIInChI=1S/C8H4BrClF2N2/c9-1-4-3-14-7(8(11)12)6(10)5(4)2-13/h3,8H,1H2
InChIKeyNALJDUNAKGEMNZ-UHFFFAOYSA-N
XLogP3.44
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.44
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

5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130078912
3-chloro-2-(difluoromethyl)-5-hydroxypyridine-4-carbonitrile
CID 130070938
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130071207
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 130076091
2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118810078
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine
CID 130073771
ethyl 5-chloro-4-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674110
5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130078916
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769
5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile (CID 130071152) is 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile is N#Cc1c(CBr)cnc(C(F)F)c1Cl.
What is the InChIKey of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile?
The InChIKey is NALJDUNAKGEMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF2N2/c9-1-4-3-14-7(8(11)12)6(10)5(4)2-13/h3,8H,1H2.
What are the key properties of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile?
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile has a molecular weight of 281.49 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130071152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).