3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid

C13H10BrNO3 — CID 81446238

IUPAC3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1ccc(Br)cc1
InChIInChI=1S/C13H10BrNO3/c14-10-3-1-9(2-4-10)8-18-12-7-15-6-5-11(12)13(16)17/h1-7H,8H2,(H,16,17)
InChIKeyAXOMPXGYXKIBOP-UHFFFAOYSA-N
MW308.13 g/mol
LogP3.12
Rot. Bonds4

About 3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid

3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid (PubChem CID 81446238) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
PubChem CID81446238
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1ccc(Br)cc1
InChIInChI=1S/C13H10BrNO3/c14-10-3-1-9(2-4-10)8-18-12-7-15-6-5-11(12)13(16)17/h1-7H,8H2,(H,16,17)
InChIKeyAXOMPXGYXKIBOP-UHFFFAOYSA-N
XLogP3.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
CID 81439619
3-[(3-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446135
3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid
CID 81445559
3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446134
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
2-amino-3-[(4-bromophenyl)methoxy]benzoic acid
CID 82831410
3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
CID 175485081
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446392
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
3-[2-(2-bromo-4-chlorophenoxy)ethoxy]pyridine-4-carboxylic acid
CID 81438776

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid (CID 81446238) is 3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid is O=C(O)c1ccncc1OCc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is AXOMPXGYXKIBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c14-10-3-1-9(2-4-10)8-18-12-7-15-6-5-11(12)13(16)17/h1-7H,8H2,(H,16,17).
What are the key properties of 3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid?
3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 308.13 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81446238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).