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

C9H7BrF2N2O — CID 118839601

IUPAC2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
SMILESCOc1cnc(C(F)F)c(CC#N)c1Br
InChIInChI=1S/C9H7BrF2N2O/c1-15-6-4-14-8(9(11)12)5(2-3-13)7(6)10/h4,9H,2H2,1H3
InChIKeySQHOBNXASLVELG-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.86
Rot. Bonds3

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

2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile (PubChem CID 118839601) has the molecular formula C9H7BrF2N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
PubChem CID118839601
Molecular FormulaC9H7BrF2N2O
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
SMILESCOc1cnc(C(F)F)c(CC#N)c1Br
InChIInChI=1S/C9H7BrF2N2O/c1-15-6-4-14-8(9(11)12)5(2-3-13)7(6)10/h4,9H,2H2,1H3
InChIKeySQHOBNXASLVELG-UHFFFAOYSA-N
XLogP2.86
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 134684682
2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118809409
2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile
CID 130069309
2-[4-bromo-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070567
2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 130068862
2-[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]acetonitrile
CID 118814830
2-[2-(difluoromethyl)-5-methoxy-3-nitro-4-pyridinyl]acetonitrile
CID 118843223
2-[5-bromo-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130068353
2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
CID 130069325
2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
CID 130106062
2-[5-(chloromethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
CID 130091416
2-[2-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118836991

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile (CID 118839601) is 2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile is COc1cnc(C(F)F)c(CC#N)c1Br.
What is the InChIKey of 2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile?
The InChIKey is SQHOBNXASLVELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O/c1-15-6-4-14-8(9(11)12)5(2-3-13)7(6)10/h4,9H,2H2,1H3.
What are the key properties of 2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile?
2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile has a molecular weight of 277.07 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118839601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).