6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid

C10H7BrN2O3S — CID 117127047

IUPAC6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid
SMILESCOc1nnc(-c2ccc(Br)s2)cc1C(=O)O
InChIInChI=1S/C10H7BrN2O3S/c1-16-9-5(10(14)15)4-6(12-13-9)7-2-3-8(11)17-7/h2-4H,1H3,(H,14,15)
InChIKeyIQZXDACUDNATNZ-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.67
Rot. Bonds3

About 6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid

6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid (PubChem CID 117127047) has the molecular formula C10H7BrN2O3S and a molecular weight of 315.15 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid
PubChem CID117127047
Molecular FormulaC10H7BrN2O3S
Molecular Weight315.15 g/mol
Exact Mass313.94
IUPAC Name6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid
SMILESCOc1nnc(-c2ccc(Br)s2)cc1C(=O)O
InChIInChI=1S/C10H7BrN2O3S/c1-16-9-5(10(14)15)4-6(12-13-9)7-2-3-8(11)17-7/h2-4H,1H3,(H,14,15)
InChIKeyIQZXDACUDNATNZ-UHFFFAOYSA-N
XLogP2.67
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromoanilino)-3-methoxypyridazine-4-carboxylic acid
CID 117102947
3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 117127039
2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 63462150
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
3-methoxy-6-(4-methylanilino)pyridazine-4-carboxylic acid
CID 117102953
6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533474
6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid
CID 82124982
3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid
CID 117127052
6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid
CID 117102906
6-bromo-2-methoxypyridine-3-carboxylic acid
CID 71303922
6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid
CID 117102945
4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82135226

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid?
The IUPAC name of 6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid (CID 117127047) is 6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid is COc1nnc(-c2ccc(Br)s2)cc1C(=O)O.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid?
The InChIKey is IQZXDACUDNATNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3S/c1-16-9-5(10(14)15)4-6(12-13-9)7-2-3-8(11)17-7/h2-4H,1H3,(H,14,15).
What are the key properties of 6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid?
6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid has a molecular weight of 315.15 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid is sourced from PubChem (CID 117127047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).