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

C9H7BrF2N2 — CID 130069325

IUPAC2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
SMILESCc1c(C(F)F)ncc(Br)c1CC#N
InChIInChI=1S/C9H7BrF2N2/c1-5-6(2-3-13)7(10)4-14-8(5)9(11)12/h4,9H,2H2,1H3
InChIKeyPGURWVSVSCTWSZ-UHFFFAOYSA-N
MW261.07 g/mol
LogP3.16
Rot. Bonds2

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

2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile (PubChem CID 130069325) has the molecular formula C9H7BrF2N2 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
PubChem CID130069325
Molecular FormulaC9H7BrF2N2
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
SMILESCc1c(C(F)F)ncc(Br)c1CC#N
InChIInChI=1S/C9H7BrF2N2/c1-5-6(2-3-13)7(10)4-14-8(5)9(11)12/h4,9H,2H2,1H3
InChIKeyPGURWVSVSCTWSZ-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)-4-iodo-3-pyridinyl]acetonitrile
CID 130068353
2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile
CID 130069309
2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid
CID 130069517
2-[5-bromo-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130069322
2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118839601
2-[4-bromo-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070567
2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099030
2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 130068862
2-[4-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107143
2-[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]acetonitrile
CID 118814830
2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
CID 130106062
2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 134684682

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile (CID 130069325) is 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile is Cc1c(C(F)F)ncc(Br)c1CC#N.
What is the InChIKey of 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile?
The InChIKey is PGURWVSVSCTWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2/c1-5-6(2-3-13)7(10)4-14-8(5)9(11)12/h4,9H,2H2,1H3.
What are the key properties of 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile?
2-[5-bromo-2-(difluoromethyl)-3-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-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile is sourced from PubChem (CID 130069325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).