[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid

C13H12N2O3 — CID 69317390

IUPAC[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccccc2)nc1CO
InChIInChI=1S/C13H12N2O3/c16-8-12-11(15-13(17)18)7-6-10(14-12)9-4-2-1-3-5-9/h1-7,15-16H,8H2,(H,17,18)
InChIKeyNNONCBTYQNAIOZ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.33
Rot. Bonds3

About [2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid

[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid (PubChem CID 69317390) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid
PubChem CID69317390
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccccc2)nc1CO
InChIInChI=1S/C13H12N2O3/c16-8-12-11(15-13(17)18)7-6-10(14-12)9-4-2-1-3-5-9/h1-7,15-16H,8H2,(H,17,18)
InChIKeyNNONCBTYQNAIOZ-UHFFFAOYSA-N
XLogP2.33
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid?
The IUPAC name of [2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid (CID 69317390) is [2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid.
What is the SMILES notation for [2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid?
The canonical SMILES for [2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid is O=C(O)Nc1ccc(-c2ccccc2)nc1CO.
What is the InChIKey of [2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid?
The InChIKey is NNONCBTYQNAIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-8-12-11(15-13(17)18)7-6-10(14-12)9-4-2-1-3-5-9/h1-7,15-16H,8H2,(H,17,18).
What are the key properties of [2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid?
[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid has a molecular weight of 244.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid is sourced from PubChem (CID 69317390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).