6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid

C14H12BrNO3 — CID 82827551

IUPAC6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(COCc2ccc(Br)cc2)nc1
InChIInChI=1S/C14H12BrNO3/c15-12-4-1-10(2-5-12)8-19-9-13-6-3-11(7-16-13)14(17)18/h1-7H,8-9H2,(H,17,18)
InChIKeyFZFVIMZXXSTUDC-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.26
Rot. Bonds5

About 6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid

6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid (PubChem CID 82827551) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid
PubChem CID82827551
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(COCc2ccc(Br)cc2)nc1
InChIInChI=1S/C14H12BrNO3/c15-12-4-1-10(2-5-12)8-19-9-13-6-3-11(7-16-13)14(17)18/h1-7H,8-9H2,(H,17,18)
InChIKeyFZFVIMZXXSTUDC-UHFFFAOYSA-N
XLogP3.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid
CID 83214712
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345019
6-[[4-(2-oxopropyl)phenoxy]methyl]pyridine-3-carboxylic acid
CID 115493828
6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid
CID 103486126
6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid
CID 82108224
4-[(4-tritylphenyl)methoxymethyl]benzoic acid
CID 174525236
6-(2-phenylethyl)pyridine-3-carboxylic acid
CID 150942335
6-(hydroxysulfanylmethyl)pyridine-3-carboxylic acid
CID 174194628

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid (CID 82827551) is 6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(COCc2ccc(Br)cc2)nc1.
What is the InChIKey of 6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid?
The InChIKey is FZFVIMZXXSTUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c15-12-4-1-10(2-5-12)8-19-9-13-6-3-11(7-16-13)14(17)18/h1-7H,8-9H2,(H,17,18).
What are the key properties of 6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid?
6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid has a molecular weight of 322.16 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 82827551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).