(3-hydroxy-4-pyridinyl)methyl carbamate

C7H8N2O3 — CID 175485052

IUPAC(3-hydroxy-4-pyridinyl)methyl carbamate
SMILESNC(=O)OCc1ccncc1O
InChIInChI=1S/C7H8N2O3/c8-7(11)12-4-5-1-2-9-3-6(5)10/h1-3,10H,4H2,(H2,8,11)
InChIKeyKFNVGEYXBGFWRH-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.38
Rot. Bonds2

About (3-hydroxy-4-pyridinyl)methyl carbamate

(3-hydroxy-4-pyridinyl)methyl carbamate (PubChem CID 175485052) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (3-hydroxy-4-pyridinyl)methyl carbamate.

Molecular Properties

Compound Name(3-hydroxy-4-pyridinyl)methyl carbamate
PubChem CID175485052
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(3-hydroxy-4-pyridinyl)methyl carbamate
SMILESNC(=O)OCc1ccncc1O
InChIInChI=1S/C7H8N2O3/c8-7(11)12-4-5-1-2-9-3-6(5)10/h1-3,10H,4H2,(H2,8,11)
InChIKeyKFNVGEYXBGFWRH-UHFFFAOYSA-N
XLogP0.38
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(8-hydroxyisoquinolin-7-yl)methyl carbamate
CID 155345948
4-(aminomethyl)pyridin-3-ol
CID 15850356
[2-(carbamoyloxymethyl)phenyl]methyl carbamate
CID 23175354
3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
CID 55293779
4-(aminomethyl)pyridine-3-carboxamide
CID 123566615
4-[(4-ethylphenyl)methyl]pyridin-3-ol
CID 23103643
2-[(3-amino-4-pyridinyl)methoxy]phenol
CID 105469628
(2-ethoxy-3-pyridinyl)methyl carbamate
CID 175042613
(2-formylthiophen-3-yl)methyl carbamate
CID 20613575
2-amino-2-(3-hydroxy-4-pyridinyl)acetic acid
CID 55293514
2-[[3-(aminomethyl)-4-pyridinyl]methoxy]phenol
CID 105487920
4-aminopyridin-3-ol;dihydrochloride
CID 127255436

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-pyridinyl)methyl carbamate?
The IUPAC name of (3-hydroxy-4-pyridinyl)methyl carbamate (CID 175485052) is (3-hydroxy-4-pyridinyl)methyl carbamate.
What is the SMILES notation for (3-hydroxy-4-pyridinyl)methyl carbamate?
The canonical SMILES for (3-hydroxy-4-pyridinyl)methyl carbamate is NC(=O)OCc1ccncc1O.
What is the InChIKey of (3-hydroxy-4-pyridinyl)methyl carbamate?
The InChIKey is KFNVGEYXBGFWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-7(11)12-4-5-1-2-9-3-6(5)10/h1-3,10H,4H2,(H2,8,11).
What are the key properties of (3-hydroxy-4-pyridinyl)methyl carbamate?
(3-hydroxy-4-pyridinyl)methyl carbamate has a molecular weight of 168.15 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-pyridinyl)methyl carbamate is sourced from PubChem (CID 175485052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).