6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile

C13H9BrN2O — CID 82825869

IUPAC6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile
SMILESN#Cc1cccc(OCc2ccccc2Br)n1
InChIInChI=1S/C13H9BrN2O/c14-12-6-2-1-4-10(12)9-17-13-7-3-5-11(8-15)16-13/h1-7H,9H2
InChIKeySRCZNSRUFNPZHT-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.29
Rot. Bonds3

About 6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile

6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile (PubChem CID 82825869) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile
PubChem CID82825869
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile
SMILESN#Cc1cccc(OCc2ccccc2Br)n1
InChIInChI=1S/C13H9BrN2O/c14-12-6-2-1-4-10(12)9-17-13-7-3-5-11(8-15)16-13/h1-7H,9H2
InChIKeySRCZNSRUFNPZHT-UHFFFAOYSA-N
XLogP3.29
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-(difluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile
CID 139724969
[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methanamine
CID 82828361
2-[(2-bromophenyl)methoxy]pyridine
CID 24799165
6-(furan-2-ylmethoxy)pyridine-2-carbonitrile
CID 64594356
6-(thiophen-2-ylmethoxy)pyridine-2-carbonitrile
CID 64594982
4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile
CID 7670973
6-pentoxypyridine-2-carbonitrile
CID 64594194
1-[6-[(2-bromophenyl)methoxy]-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 82832072
N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82807232
5-bromo-2-[(2-bromophenyl)methoxy]pyridine
CID 82832179
6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile
CID 64593617
6-[2-(dimethylamino)-2-methylpropoxy]pyridine-2-carbonitrile
CID 79679476

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile (CID 82825869) is 6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile is N#Cc1cccc(OCc2ccccc2Br)n1.
What is the InChIKey of 6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile?
The InChIKey is SRCZNSRUFNPZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c14-12-6-2-1-4-10(12)9-17-13-7-3-5-11(8-15)16-13/h1-7H,9H2.
What are the key properties of 6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile?
6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile has a molecular weight of 289.13 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 82825869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).