4-bromo-6-methoxycinnoline

C9H7BrN2O — CID 53415017

IUPAC4-bromo-6-methoxycinnoline
SMILESCOc1ccc2nncc(Br)c2c1
InChIInChI=1S/C9H7BrN2O/c1-13-6-2-3-9-7(4-6)8(10)5-11-12-9/h2-5H,1H3
InChIKeyGQVWUUVLUYUCTK-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.40
Rot. Bonds1

About 4-bromo-6-methoxycinnoline

4-bromo-6-methoxycinnoline (PubChem CID 53415017) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 4-bromo-6-methoxycinnoline.

Molecular Properties

Compound Name4-bromo-6-methoxycinnoline
PubChem CID53415017
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name4-bromo-6-methoxycinnoline
SMILESCOc1ccc2nncc(Br)c2c1
InChIInChI=1S/C9H7BrN2O/c1-13-6-2-3-9-7(4-6)8(10)5-11-12-9/h2-5H,1H3
InChIKeyGQVWUUVLUYUCTK-UHFFFAOYSA-N
XLogP2.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethoxycinnoline
CID 134989956
4-(2-bromo-4-methoxyphenoxy)cinnoline
CID 104707553
methyl 4-bromocinnoline-6-carboxylate
CID 122457701
4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline
CID 68954929
4-bromo-7-methoxy-6-methylcinnoline
CID 53415018
1,7-dimethoxyphthalazine
CID 119093543
4-bromo-6-methoxyisoquinolin-1-amine
CID 84707747
7-methoxy-4-propan-2-ylcinnoline
CID 164758055
1-chloro-7-methoxyphthalazine
CID 15271578
2-bromo-6-methoxy-4-methylquinazoline
CID 84804344
5-bromo-3-methoxyquinoline
CID 58227851
6-methoxy-3-methyl-1,2,3-benzotriazin-4-one
CID 122431840

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methoxycinnoline?
The IUPAC name of 4-bromo-6-methoxycinnoline (CID 53415017) is 4-bromo-6-methoxycinnoline.
What is the SMILES notation for 4-bromo-6-methoxycinnoline?
The canonical SMILES for 4-bromo-6-methoxycinnoline is COc1ccc2nncc(Br)c2c1.
What is the InChIKey of 4-bromo-6-methoxycinnoline?
The InChIKey is GQVWUUVLUYUCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-13-6-2-3-9-7(4-6)8(10)5-11-12-9/h2-5H,1H3.
What are the key properties of 4-bromo-6-methoxycinnoline?
4-bromo-6-methoxycinnoline has a molecular weight of 239.07 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methoxycinnoline is sourced from PubChem (CID 53415017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).