[2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate

C11H8N2O4 — CID 117231285

IUPAC[2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate
SMILESO=C(O)Oc1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C11H8N2O4/c14-8-3-1-2-7(4-8)10-12-5-9(6-13-10)17-11(15)16/h1-6,14H,(H,15,16)
InChIKeyWPJGYCGRVLQAAT-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.91
Rot. Bonds2

About [2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate

[2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate (PubChem CID 117231285) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is [2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate
PubChem CID117231285
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name[2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate
SMILESO=C(O)Oc1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C11H8N2O4/c14-8-3-1-2-7(4-8)10-12-5-9(6-13-10)17-11(15)16/h1-6,14H,(H,15,16)
InChIKeyWPJGYCGRVLQAAT-UHFFFAOYSA-N
XLogP1.91
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol
CID 117231253
methyl 2-[4-chloro-2-(3-hydroxyphenyl)pyrimidin-5-yl]acetate
CID 117225365
phenol;phenyl hydrogen carbonate
CID 23470013
4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid
CID 142770731
[3-carboxyoxy-5-(3-carboxyoxyphenyl)phenyl] hydrogen carbonate
CID 66768038
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide
CID 75436300
2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid
CID 146018732
(2S)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 52523220
(2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 52523221
benzyl N-[4-[[2-(3-hydroxyphenyl)pyrimidin-5-yl]amino]-4-oxobutyl]carbamate
CID 56520901
5-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid
CID 117213155
3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160578050

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate?
The IUPAC name of [2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate (CID 117231285) is [2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate.
What is the SMILES notation for [2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate?
The canonical SMILES for [2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate is O=C(O)Oc1cnc(-c2cccc(O)c2)nc1.
What is the InChIKey of [2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate?
The InChIKey is WPJGYCGRVLQAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-8-3-1-2-7(4-8)10-12-5-9(6-13-10)17-11(15)16/h1-6,14H,(H,15,16).
What are the key properties of [2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate?
[2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate has a molecular weight of 232.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate is sourced from PubChem (CID 117231285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).