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

C8H4BrClF2N2 — CID 118810078

IUPAC2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(CBr)ncc(C(F)F)c1Cl
InChIInChI=1S/C8H4BrClF2N2/c9-1-6-4(2-13)7(10)5(3-14-6)8(11)12/h3,8H,1H2
InChIKeyQHKILTKHXUDJCB-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.44
Rot. Bonds2

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

2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 118810078) has the molecular formula C8H4BrClF2N2 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID118810078
Molecular FormulaC8H4BrClF2N2
Molecular Weight281.49 g/mol
Exact Mass279.92
IUPAC Name2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(CBr)ncc(C(F)F)c1Cl
InChIInChI=1S/C8H4BrClF2N2/c9-1-6-4(2-13)7(10)5(3-14-6)8(11)12/h3,8H,1H2
InChIKeyQHKILTKHXUDJCB-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

2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130078210
2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130077319
2-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine-3-carbonitrile
CID 130078579
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118804476
2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 130102690
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071152
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130108175
6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130103415
[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130075216
2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076122
2-[6-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118832614
2-[3-bromo-2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070225

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile (CID 118810078) is 2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1c(CBr)ncc(C(F)F)c1Cl.
What is the InChIKey of 2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is QHKILTKHXUDJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF2N2/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-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile?
2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-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 2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118810078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).