3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid

C12H10BrNO3S — CID 79158007

IUPAC3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(OCc2ccc(Br)s2)c(C(=O)O)n1
InChIInChI=1S/C12H10BrNO3S/c1-7-2-4-9(11(14-7)12(15)16)17-6-8-3-5-10(13)18-8/h2-5H,6H2,1H3,(H,15,16)
InChIKeyFPBFFBTVFDOXRG-UHFFFAOYSA-N
MW328.19 g/mol
LogP3.49
Rot. Bonds4

About 3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid

3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid (PubChem CID 79158007) has the molecular formula C12H10BrNO3S and a molecular weight of 328.19 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
PubChem CID79158007
Molecular FormulaC12H10BrNO3S
Molecular Weight328.19 g/mol
Exact Mass326.96
IUPAC Name3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(OCc2ccc(Br)s2)c(C(=O)O)n1
InChIInChI=1S/C12H10BrNO3S/c1-7-2-4-9(11(14-7)12(15)16)17-6-8-3-5-10(13)18-8/h2-5H,6H2,1H3,(H,15,16)
InChIKeyFPBFFBTVFDOXRG-UHFFFAOYSA-N
XLogP3.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79156847
6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79156655
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79158538
8-[(5-bromothiophen-2-yl)methoxy]-2-methylquinoline
CID 63457720
3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79156646
3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
CID 79157043
6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
CID 79158533
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653
3-hexoxy-6-methylpyridine-2-carboxylic acid
CID 79156664
3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
CID 79157238
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
CID 79156299

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid (CID 79158007) is 3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid is Cc1ccc(OCc2ccc(Br)s2)c(C(=O)O)n1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid?
The InChIKey is FPBFFBTVFDOXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3S/c1-7-2-4-9(11(14-7)12(15)16)17-6-8-3-5-10(13)18-8/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid?
3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid has a molecular weight of 328.19 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 79158007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).