4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane

C14H14BrNO3 — CID 145157389

IUPAC4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane
SMILESC.O=C(O)c1nccc(Br)c1OCc1ccccc1
InChIInChI=1S/C13H10BrNO3.CH4/c14-10-6-7-15-11(13(16)17)12(10)18-8-9-4-2-1-3-5-9;/h1-7H,8H2,(H,16,17);1H4
InChIKeySAVMHSCKOZSGOX-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.76
Rot. Bonds4

About 4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane

4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane (PubChem CID 145157389) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane.

Molecular Properties

Compound Name4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane
PubChem CID145157389
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane
SMILESC.O=C(O)c1nccc(Br)c1OCc1ccccc1
InChIInChI=1S/C13H10BrNO3.CH4/c14-10-6-7-15-11(13(16)17)12(10)18-8-9-4-2-1-3-5-9;/h1-7H,8H2,(H,16,17);1H4
InChIKeySAVMHSCKOZSGOX-UHFFFAOYSA-N
XLogP3.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromoisoquinoline-1-carboxylic acid
CID 71303705
4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid
CID 166140574
4-bromo-2-nitro-3-phenylmethoxybenzoic acid
CID 163304371
(3-bromo-2-phenylmethoxyphenyl)-phenylmethanone
CID 58238538
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
CID 6334341
CID 6334341
N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
CID 23245673
3-(3-bromo-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 76899319
3-(3,5-dibromo-4-phenylmethoxyphenyl)propanoic acid
CID 23648092
2-(3-bromo-2-phenylmethoxyphenyl)pyridine
CID 151807224
1-(dimethylcarbamoyl)-4-phenylmethoxyisoquinoline-3-carboxylic acid
CID 66713108
3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid
CID 65478431

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane?
The IUPAC name of 4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane (CID 145157389) is 4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane.
What is the SMILES notation for 4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane?
The canonical SMILES for 4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane is C.O=C(O)c1nccc(Br)c1OCc1ccccc1.
What is the InChIKey of 4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane?
The InChIKey is SAVMHSCKOZSGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3.CH4/c14-10-6-7-15-11(13(16)17)12(10)18-8-9-4-2-1-3-5-9;/h1-7H,8H2,(H,16,17);1H4.
What are the key properties of 4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane?
4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane has a molecular weight of 324.17 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane is sourced from PubChem (CID 145157389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).