3-bromo-5-methoxypyridine-4-carbonitrile

C7H5BrN2O — CID 119091286

IUPAC3-bromo-5-methoxypyridine-4-carbonitrile
SMILESCOc1cncc(Br)c1C#N
InChIInChI=1S/C7H5BrN2O/c1-11-7-4-10-3-6(8)5(7)2-9/h3-4H,1H3
InChIKeyRRWIPBLNUWFORB-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.72
Rot. Bonds1

About 3-bromo-5-methoxypyridine-4-carbonitrile

3-bromo-5-methoxypyridine-4-carbonitrile (PubChem CID 119091286) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 3-bromo-5-methoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-bromo-5-methoxypyridine-4-carbonitrile
PubChem CID119091286
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name3-bromo-5-methoxypyridine-4-carbonitrile
SMILESCOc1cncc(Br)c1C#N
InChIInChI=1S/C7H5BrN2O/c1-11-7-4-10-3-6(8)5(7)2-9/h3-4H,1H3
InChIKeyRRWIPBLNUWFORB-UHFFFAOYSA-N
XLogP1.72
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-bromo-3-methoxybenzonitrile
CID 82013372
2-bromo-6-methoxy-4-methylbenzonitrile
CID 131293442
methyl 3-(5-bromo-4-cyano-3-pyridinyl)propanoate
CID 25213091
3-bromo-4-cyano-5-methoxybenzoic acid
CID 131142981
5-bromo-2,3-dimethoxy-6-methylbenzonitrile
CID 117393170
tert-butyl N-(4-cyano-5-methoxy-3-pyridinyl)-N-methylcarbamate
CID 53410931
4-bromo-3-methoxy-5-methylpyridine
CID 118804882
methyl 3-bromo-4-cyano-5-methoxybenzoate
CID 131390376
2-[(5-bromopyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107469799
4-bromo-3-iodo-5-methoxypyridine
CID 133063942
3-(4-bromo-3-methoxyphenyl)prop-2-enenitrile
CID 169484396
5-methoxy-4-nitropyridine-3-carbonitrile
CID 130938715

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxypyridine-4-carbonitrile?
The IUPAC name of 3-bromo-5-methoxypyridine-4-carbonitrile (CID 119091286) is 3-bromo-5-methoxypyridine-4-carbonitrile.
What is the SMILES notation for 3-bromo-5-methoxypyridine-4-carbonitrile?
The canonical SMILES for 3-bromo-5-methoxypyridine-4-carbonitrile is COc1cncc(Br)c1C#N.
What is the InChIKey of 3-bromo-5-methoxypyridine-4-carbonitrile?
The InChIKey is RRWIPBLNUWFORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c1-11-7-4-10-3-6(8)5(7)2-9/h3-4H,1H3.
What are the key properties of 3-bromo-5-methoxypyridine-4-carbonitrile?
3-bromo-5-methoxypyridine-4-carbonitrile has a molecular weight of 213.03 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxypyridine-4-carbonitrile is sourced from PubChem (CID 119091286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).