phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate

C13H12N2O3 — CID 86676127

IUPACphenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate
SMILESO=C(Nc1ccc(CO)nc1)Oc1ccccc1
InChIInChI=1S/C13H12N2O3/c16-9-11-7-6-10(8-14-11)15-13(17)18-12-4-2-1-3-5-12/h1-8,16H,9H2,(H,15,17)
InChIKeyRCHCKMLQQYMSDA-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.18
Rot. Bonds3

About phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate

phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate (PubChem CID 86676127) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate
PubChem CID86676127
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namephenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate
SMILESO=C(Nc1ccc(CO)nc1)Oc1ccccc1
InChIInChI=1S/C13H12N2O3/c16-9-11-7-6-10(8-14-11)15-13(17)18-12-4-2-1-3-5-12/h1-8,16H,9H2,(H,15,17)
InChIKeyRCHCKMLQQYMSDA-UHFFFAOYSA-N
XLogP2.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675
phenyl N-(6-nitro-3-pyridinyl)carbamate
CID 141417930
phenyl N-(4-iodophenyl)carbamate
CID 73442286
2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107338260
phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
CID 169322862
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
phenyl N-(2-ethoxyphenyl)carbamate
CID 51345560
phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate
CID 169322761
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate
CID 10957066
phenyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 43369849
phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate
CID 155202112

Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate?
The IUPAC name of phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate (CID 86676127) is phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate is O=C(Nc1ccc(CO)nc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate?
The InChIKey is RCHCKMLQQYMSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-9-11-7-6-10(8-14-11)15-13(17)18-12-4-2-1-3-5-12/h1-8,16H,9H2,(H,15,17).
What are the key properties of phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate?
phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate has a molecular weight of 244.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 86676127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).