2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile

C9H7BrF2N2 — CID 130069309

IUPAC2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile
SMILESCc1cnc(C(F)F)c(Br)c1CC#N
InChIInChI=1S/C9H7BrF2N2/c1-5-4-14-8(9(11)12)7(10)6(5)2-3-13/h4,9H,2H2,1H3
InChIKeyLBEWGTNZDRJETA-UHFFFAOYSA-N
MW261.07 g/mol
LogP3.16
Rot. Bonds2

About 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile

2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile (PubChem CID 130069309) has the molecular formula C9H7BrF2N2 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile
PubChem CID130069309
Molecular FormulaC9H7BrF2N2
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile
SMILESCc1cnc(C(F)F)c(Br)c1CC#N
InChIInChI=1S/C9H7BrF2N2/c1-5-4-14-8(9(11)12)7(10)6(5)2-3-13/h4,9H,2H2,1H3
InChIKeyLBEWGTNZDRJETA-UHFFFAOYSA-N
XLogP3.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
CID 130069325
2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118839601
2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099030
2-[5-bromo-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130068353
2-[4-bromo-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070567
2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile
CID 130081059
2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 130068862
2-[4-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107143
ethyl 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134675934
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625
4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106332
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile (CID 130069309) is 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile is Cc1cnc(C(F)F)c(Br)c1CC#N.
What is the InChIKey of 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile?
The InChIKey is LBEWGTNZDRJETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2/c1-5-4-14-8(9(11)12)7(10)6(5)2-3-13/h4,9H,2H2,1H3.
What are the key properties of 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile?
2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile has a molecular weight of 261.07 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile is sourced from PubChem (CID 130069309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).