2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile

C9H7BrF2N2 — CID 130069314

IUPAC2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
SMILESCc1nc(CC#N)cc(C(F)F)c1Br
InChIInChI=1S/C9H7BrF2N2/c1-5-8(10)7(9(11)12)4-6(14-5)2-3-13/h4,9H,2H2,1H3
InChIKeyPAUZCXHUUSHXLH-UHFFFAOYSA-N
MW261.07 g/mol
LogP3.16
Rot. Bonds2

About 2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile

2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile (PubChem CID 130069314) has the molecular formula C9H7BrF2N2 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
PubChem CID130069314
Molecular FormulaC9H7BrF2N2
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
SMILESCc1nc(CC#N)cc(C(F)F)c1Br
InChIInChI=1S/C9H7BrF2N2/c1-5-8(10)7(9(11)12)4-6(14-5)2-3-13/h4,9H,2H2,1H3
InChIKeyPAUZCXHUUSHXLH-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-[4-bromo-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 118817667
2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
CID 119018233
2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile
CID 130081064
2-[5-(difluoromethyl)-6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029134
2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130097680
2-[6-bromo-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 119018638
2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130102010
2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 118991234
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118817542
2-[4-(difluoromethyl)-6-iodo-5-nitro-2-pyridinyl]acetonitrile
CID 118806601
2-[5-bromo-6-(difluoromethyl)-4-nitro-2-pyridinyl]acetonitrile
CID 130069828
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130088430

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile (CID 130069314) is 2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile is Cc1nc(CC#N)cc(C(F)F)c1Br.
What is the InChIKey of 2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile?
The InChIKey is PAUZCXHUUSHXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2/c1-5-8(10)7(9(11)12)4-6(14-5)2-3-13/h4,9H,2H2,1H3.
What are the key properties of 2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile?
2-[5-bromo-4-(difluoromethyl)-6-methyl-2-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-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130069314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).