[2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate

C14H13NO4 — CID 67866400

IUPAC[2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate
SMILESO=C(O)Oc1ccnc(COCc2ccccc2)c1
InChIInChI=1S/C14H13NO4/c16-14(17)19-13-6-7-15-12(8-13)10-18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,17)
InChIKeyMHBLSVCWBSVIOE-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.86
Rot. Bonds5

About [2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate

[2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate (PubChem CID 67866400) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is [2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate
PubChem CID67866400
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name[2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate
SMILESO=C(O)Oc1ccnc(COCc2ccccc2)c1
InChIInChI=1S/C14H13NO4/c16-14(17)19-13-6-7-15-12(8-13)10-18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,17)
InChIKeyMHBLSVCWBSVIOE-UHFFFAOYSA-N
XLogP2.86
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid
CID 91387791
2-ethyl-4-phenylmethoxypyridine
CID 130153338
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
acetic acid;phenylmethoxymethylbenzene
CID 175214238
(4-phenylmethoxy-2-pyridinyl) carbamate
CID 175517268
1-(4-phenylmethoxy-2-pyridinyl)ethanone
CID 151357228
[4-(4-phenylmethoxyphenoxy)-2-pyridinyl]methanamine
CID 69017208
CID 66734377
CID 66734377
6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
CID 68746787
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-phenylmethoxyethoxy)-2-pyridinyl]methyl]hexanoic acid
CID 118549761
3-amino-2-hydroxy-5-methyl-2-[[4-(2-phenylmethoxyethoxy)-2-pyridinyl]methyl]hexanoic acid
CID 146556982

Frequently Asked Questions

What is the IUPAC name of [2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate?
The IUPAC name of [2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate (CID 67866400) is [2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate?
The canonical SMILES for [2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate is O=C(O)Oc1ccnc(COCc2ccccc2)c1.
What is the InChIKey of [2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate?
The InChIKey is MHBLSVCWBSVIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-14(17)19-13-6-7-15-12(8-13)10-18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,17).
What are the key properties of [2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate?
[2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate has a molecular weight of 259.26 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 67866400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).