3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile

C8H5BrF2N2O — CID 130108664

IUPAC3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
SMILESCOc1c(C(F)F)cnc(C#N)c1Br
InChIInChI=1S/C8H5BrF2N2O/c1-14-7-4(8(10)11)3-13-5(2-12)6(7)9/h3,8H,1H3
InChIKeyRBEWKIRBJOSKHX-UHFFFAOYSA-N
MW263.04 g/mol
LogP2.66
Rot. Bonds2

About 3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile

3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile (PubChem CID 130108664) has the molecular formula C8H5BrF2N2O and a molecular weight of 263.04 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
PubChem CID130108664
Molecular FormulaC8H5BrF2N2O
Molecular Weight263.04 g/mol
Exact Mass261.96
IUPAC Name3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
SMILESCOc1c(C(F)F)cnc(C#N)c1Br
InChIInChI=1S/C8H5BrF2N2O/c1-14-7-4(8(10)11)3-13-5(2-12)6(7)9/h3,8H,1H3
InChIKeyRBEWKIRBJOSKHX-UHFFFAOYSA-N
XLogP2.66
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.04
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
CID 119010367
5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
CID 119010675
3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine
CID 130109360
4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118829099
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130109174
4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118828849
4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118811799
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849
ethyl 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-carboxylate
CID 134677907
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108564
2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
CID 134672413

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile?
The IUPAC name of 3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile (CID 130108664) is 3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile is COc1c(C(F)F)cnc(C#N)c1Br.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile?
The InChIKey is RBEWKIRBJOSKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2O/c1-14-7-4(8(10)11)3-13-5(2-12)6(7)9/h3,8H,1H3.
What are the key properties of 3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile?
3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile has a molecular weight of 263.04 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 130108664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).