5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid

C14H12BrNO4 — CID 79794336

IUPAC5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
SMILESCOc1ccc(Br)c(COc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C14H12BrNO4/c1-19-10-2-4-12(15)9(6-10)8-20-11-3-5-13(14(17)18)16-7-11/h2-7H,8H2,1H3,(H,17,18)
InChIKeyNSHOVNWVVOZQLL-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.13
Rot. Bonds5

About 5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid

5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 79794336) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is 5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
PubChem CID79794336
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Name5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
SMILESCOc1ccc(Br)c(COc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C14H12BrNO4/c1-19-10-2-4-12(15)9(6-10)8-20-11-3-5-13(14(17)18)16-7-11/h2-7H,8H2,1H3,(H,17,18)
InChIKeyNSHOVNWVVOZQLL-UHFFFAOYSA-N
XLogP3.13
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793811
2-[(2-bromo-5-methoxyphenyl)methoxy]-3-methylbenzoic acid
CID 65322657
3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 65322037
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014577
1-[(2-bromo-5-methoxyphenyl)methyl]imidazole-4-carboxylic acid
CID 106717011
4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride
CID 65324002
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid
CID 79794866
5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 102881330
[4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 65322781
5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 79794515

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid (CID 79794336) is 5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid is COc1ccc(Br)c(COc2ccc(C(=O)O)nc2)c1.
What is the InChIKey of 5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is NSHOVNWVVOZQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c1-19-10-2-4-12(15)9(6-10)8-20-11-3-5-13(14(17)18)16-7-11/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid?
5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 338.16 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79794336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).