2-phenoxypyridine-4-carboxylic acid

C12H9NO3 — CID 21494431

IUPAC2-phenoxypyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C12H9NO3/c14-12(15)9-6-7-13-11(8-9)16-10-4-2-1-3-5-10/h1-8H,(H,14,15)
InChIKeyMVRLAYNMGBRJTD-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.57
Rot. Bonds3

About 2-phenoxypyridine-4-carboxylic acid

2-phenoxypyridine-4-carboxylic acid (PubChem CID 21494431) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-phenoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-phenoxypyridine-4-carboxylic acid
PubChem CID21494431
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name2-phenoxypyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C12H9NO3/c14-12(15)9-6-7-13-11(8-9)16-10-4-2-1-3-5-10/h1-8H,(H,14,15)
InChIKeyMVRLAYNMGBRJTD-UHFFFAOYSA-N
XLogP2.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-phenylpyridine-4-carboxamide
CID 19093380
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
CID 55207487
2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid
CID 28996595
2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate
CID 167823575
3,4-diphenoxybenzoic acid
CID 70590459
N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide
CID 167927540
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-phenoxy-4-pyridinyl)methanone
CID 56829222
2-(4-aminophenoxy)pyridine-4-carboxamide
CID 54909039
3-(2-chloropyrimidin-4-yl)oxybenzoic acid
CID 28875473
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014

Frequently Asked Questions

What is the IUPAC name of 2-phenoxypyridine-4-carboxylic acid?
The IUPAC name of 2-phenoxypyridine-4-carboxylic acid (CID 21494431) is 2-phenoxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-phenoxypyridine-4-carboxylic acid?
The canonical SMILES for 2-phenoxypyridine-4-carboxylic acid is O=C(O)c1ccnc(Oc2ccccc2)c1.
What is the InChIKey of 2-phenoxypyridine-4-carboxylic acid?
The InChIKey is MVRLAYNMGBRJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-12(15)9-6-7-13-11(8-9)16-10-4-2-1-3-5-10/h1-8H,(H,14,15).
What are the key properties of 2-phenoxypyridine-4-carboxylic acid?
2-phenoxypyridine-4-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxypyridine-4-carboxylic acid is sourced from PubChem (CID 21494431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).