2-phenylmethoxy-1H-pyridine-2-carboxylic acid

C13H13NO3 — CID 19960310

IUPAC2-phenylmethoxy-1H-pyridine-2-carboxylic acid
SMILESO=C(O)C1(OCc2ccccc2)C=CC=CN1
InChIInChI=1S/C13H13NO3/c15-12(16)13(8-4-5-9-14-13)17-10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,15,16)
InChIKeyTWEUIYPPEGVKBW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.66
Rot. Bonds4

About 2-phenylmethoxy-1H-pyridine-2-carboxylic acid

2-phenylmethoxy-1H-pyridine-2-carboxylic acid (PubChem CID 19960310) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-phenylmethoxy-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-phenylmethoxy-1H-pyridine-2-carboxylic acid
PubChem CID19960310
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-phenylmethoxy-1H-pyridine-2-carboxylic acid
SMILESO=C(O)C1(OCc2ccccc2)C=CC=CN1
InChIInChI=1S/C13H13NO3/c15-12(16)13(8-4-5-9-14-13)17-10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,15,16)
InChIKeyTWEUIYPPEGVKBW-UHFFFAOYSA-N
XLogP1.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-chloro-2-phenylmethoxy-1H-pyridine-3-carboxylate
CID 68922627
1-phenylmethoxycyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 22679065
1-phenylmethoxycyclohex-2-ene-1-carboxylic acid
CID 150519089
(6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 22395583
6-methoxy-6-phenylmethoxycyclohexa-2,4-diene-1-carboxylic acid
CID 156504201
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl (2S)-2-aminopropanoate
CID 726858
N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide
CID 174723238
benzyl 2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetate
CID 146279077
acetic acid;phenylmethoxymethylbenzene
CID 175214238
CID 174906307
CID 174906307
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1H-pyridine-2-carboxylic acid?
The IUPAC name of 2-phenylmethoxy-1H-pyridine-2-carboxylic acid (CID 19960310) is 2-phenylmethoxy-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 2-phenylmethoxy-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 2-phenylmethoxy-1H-pyridine-2-carboxylic acid is O=C(O)C1(OCc2ccccc2)C=CC=CN1.
What is the InChIKey of 2-phenylmethoxy-1H-pyridine-2-carboxylic acid?
The InChIKey is TWEUIYPPEGVKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12(16)13(8-4-5-9-14-13)17-10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,15,16).
What are the key properties of 2-phenylmethoxy-1H-pyridine-2-carboxylic acid?
2-phenylmethoxy-1H-pyridine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 19960310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).