3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid

C15H14BrNO4 — CID 79156646

IUPAC3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid
SMILESCOc1ccc(COc2ccc(C)nc2C(=O)O)cc1Br
InChIInChI=1S/C15H14BrNO4/c1-9-3-5-13(14(17-9)15(18)19)21-8-10-4-6-12(20-2)11(16)7-10/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyXBGCWDPWZUUFDQ-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.44
Rot. Bonds5

About 3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid

3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid (PubChem CID 79156646) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is 3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid
PubChem CID79156646
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid
SMILESCOc1ccc(COc2ccc(C)nc2C(=O)O)cc1Br
InChIInChI=1S/C15H14BrNO4/c1-9-3-5-13(14(17-9)15(18)19)21-8-10-4-6-12(20-2)11(16)7-10/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyXBGCWDPWZUUFDQ-UHFFFAOYSA-N
XLogP3.44
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
CID 45397817
2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid
CID 115297973
3-[(3-bromo-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336501
2-[(3-bromo-4-methoxyphenyl)methoxy]-4-chlorobenzoic acid
CID 45286799
3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79158007
6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79156655
3-[(3-bromo-4-methoxyphenyl)methoxy]benzoic acid
CID 45286749
4-[(2-bromo-4-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 106794003
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
CID 79157238

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid (CID 79156646) is 3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid is COc1ccc(COc2ccc(C)nc2C(=O)O)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid?
The InChIKey is XBGCWDPWZUUFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c1-9-3-5-13(14(17-9)15(18)19)21-8-10-4-6-12(20-2)11(16)7-10/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid?
3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid has a molecular weight of 352.18 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 79156646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).