5-bromo-4-fluoro-2-methoxybenzonitrile

C8H5BrFNO — CID 71270766

IUPAC5-bromo-4-fluoro-2-methoxybenzonitrile
SMILESCOc1cc(F)c(Br)cc1C#N
InChIInChI=1S/C8H5BrFNO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,1H3
InChIKeyRFIVQBDXMSYANL-UHFFFAOYSA-N
MW230.04 g/mol
LogP2.47
Rot. Bonds1

About 5-bromo-4-fluoro-2-methoxybenzonitrile

5-bromo-4-fluoro-2-methoxybenzonitrile (PubChem CID 71270766) has the molecular formula C8H5BrFNO and a molecular weight of 230.04 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-methoxybenzonitrile
PubChem CID71270766
Molecular FormulaC8H5BrFNO
Molecular Weight230.04 g/mol
Exact Mass228.95
IUPAC Name5-bromo-4-fluoro-2-methoxybenzonitrile
SMILESCOc1cc(F)c(Br)cc1C#N
InChIInChI=1S/C8H5BrFNO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,1H3
InChIKeyRFIVQBDXMSYANL-UHFFFAOYSA-N
XLogP2.47
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-4-methoxybenzonitrile
CID 736049
3-Bromo-4-methoxyphenylacetonitrile
CID 522655
6-Bromo-2H-1-benzopyran-3-carbonitrile
CID 42439
2-Fluoro-6-methoxybenzonitrile
CID 523101
4-Bromo-1-methoxy-2-methylbenzene
CID 608315
2-(2-Bromo-5-methoxyphenyl)acetonitrile
CID 639666
2-Bromo-5-methoxybenzonitrile
CID 21784096
4-Bromo-2-fluoro-6-methoxybenzonitrile
CID 57442209
3,5-Dibromo-4-methoxybenzonitrile
CID 2743079
2-(4-Bromophenyl)-3-(2-methoxyphenyl)acrylonitrile
CID 853941
4-Fluoro-2-methoxybenzonitrile
CID 2783329
4-Bromo-2-methoxybenzonitrile
CID 22346702

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-methoxybenzonitrile?
The IUPAC name of 5-bromo-4-fluoro-2-methoxybenzonitrile (CID 71270766) is 5-bromo-4-fluoro-2-methoxybenzonitrile.
What is the SMILES notation for 5-bromo-4-fluoro-2-methoxybenzonitrile?
The canonical SMILES for 5-bromo-4-fluoro-2-methoxybenzonitrile is COc1cc(F)c(Br)cc1C#N.
What is the InChIKey of 5-bromo-4-fluoro-2-methoxybenzonitrile?
The InChIKey is RFIVQBDXMSYANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,1H3.
What are the key properties of 5-bromo-4-fluoro-2-methoxybenzonitrile?
5-bromo-4-fluoro-2-methoxybenzonitrile has a molecular weight of 230.04 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-methoxybenzonitrile is sourced from PubChem (CID 71270766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).