4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid

C15H14BrNO3S — CID 167245834

IUPAC4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid
SMILESCOc1cc(SC)c(Br)cc1-c1cc(C)ncc1C(=O)O
InChIInChI=1S/C15H14BrNO3S/c1-8-4-9(11(7-17-8)15(18)19)10-5-12(16)14(21-3)6-13(10)20-2/h4-7H,1-3H3,(H,18,19)
InChIKeyKWMNHVRHBYFQQA-UHFFFAOYSA-N
MW368.25 g/mol
LogP4.25
Rot. Bonds4

About 4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid

4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid (PubChem CID 167245834) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid
PubChem CID167245834
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid
SMILESCOc1cc(SC)c(Br)cc1-c1cc(C)ncc1C(=O)O
InChIInChI=1S/C15H14BrNO3S/c1-8-4-9(11(7-17-8)15(18)19)10-5-12(16)14(21-3)6-13(10)20-2/h4-7H,1-3H3,(H,18,19)
InChIKeyKWMNHVRHBYFQQA-UHFFFAOYSA-N
XLogP4.25
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid
CID 163391109
2-(5-methoxy-2-methyl-4-pyridinyl)-4-propan-2-ylbenzoic acid
CID 177237992
4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid
CID 155342269
4-[5-chloro-2-(trideuteriomethoxy)phenyl]-6-methylpyridine-3-carboxylic acid
CID 168984872
2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 79407873
6-methyl-4-phenylpyridine-3-carboxylic acid
CID 82113463
4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid
CID 166163521
4-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973672
4-(2-ethyl-3-pyridinyl)-6-methylpyridine-3-carboxylic acid
CID 143282268
4-bromo-2-chloro-5-methylsulfanylbenzoic acid
CID 91881657
4-bromo-2-iodo-5-methoxybenzoic acid
CID 131589494
4-methoxy-6-methylpyridine-3-carboxamide
CID 69278952

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid (CID 167245834) is 4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid is COc1cc(SC)c(Br)cc1-c1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is KWMNHVRHBYFQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-8-4-9(11(7-17-8)15(18)19)10-5-12(16)14(21-3)6-13(10)20-2/h4-7H,1-3H3,(H,18,19).
What are the key properties of 4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid?
4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 368.25 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 167245834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).