8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile

C13H10BrNO2 — CID 168966402

IUPAC8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile
SMILESCOCOc1cc(Br)c2c(C#N)cccc2c1
InChIInChI=1S/C13H10BrNO2/c1-16-8-17-11-5-9-3-2-4-10(7-15)13(9)12(14)6-11/h2-6H,8H2,1H3
InChIKeyWGMIKQSSQFVMBH-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.46
Rot. Bonds3

About 8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile

8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile (PubChem CID 168966402) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile
PubChem CID168966402
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile
SMILESCOCOc1cc(Br)c2c(C#N)cccc2c1
InChIInChI=1S/C13H10BrNO2/c1-16-8-17-11-5-9-3-2-4-10(7-15)13(9)12(14)6-11/h2-6H,8H2,1H3
InChIKeyWGMIKQSSQFVMBH-UHFFFAOYSA-N
XLogP3.46
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bromo-8-(2-methoxyethyl)-3-(methoxymethoxy)naphthalene
CID 170004004
1-bromo-8-cyclopropyl-3-(methoxymethoxy)naphthalene
CID 170002473
8-ethynyl-1-methoxy-3-(methoxymethoxy)naphthalene
CID 168999938
[3-(methoxymethoxy)-8-prop-1-ynylnaphthalen-1-yl]methanediol
CID 171756668
1,3-dibromo-2,5-bis(methoxymethoxy)benzene
CID 21364580
2-(methoxymethoxy)benzonitrile
CID 10352018
2-fluoro-3-(methoxymethoxy)benzonitrile
CID 142496816
5-bromo-7-methoxyquinoline-4-carbonitrile
CID 156546655
2-tert-butyl-5-(methoxymethoxy)benzonitrile
CID 146376695
1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
2-bromo-1-chloro-4-(methoxymethoxy)benzene
CID 162421095
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile?
The IUPAC name of 8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile (CID 168966402) is 8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile.
What is the SMILES notation for 8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile?
The canonical SMILES for 8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile is COCOc1cc(Br)c2c(C#N)cccc2c1.
What is the InChIKey of 8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile?
The InChIKey is WGMIKQSSQFVMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c1-16-8-17-11-5-9-3-2-4-10(7-15)13(9)12(14)6-11/h2-6H,8H2,1H3.
What are the key properties of 8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile?
8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile has a molecular weight of 292.13 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-(methoxymethoxy)naphthalene-1-carbonitrile is sourced from PubChem (CID 168966402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).