[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid

C8H10N2O3 — CID 155209331

IUPAC[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid
SMILESO=C(O)NCc1ncccc1CO
InChIInChI=1S/C8H10N2O3/c11-5-6-2-1-3-9-7(6)4-10-8(12)13/h1-3,10-11H,4-5H2,(H,12,13)
InChIKeyFAFOROOKTNEAPF-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.34
Rot. Bonds3

About [3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid

[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid (PubChem CID 155209331) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid
PubChem CID155209331
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid
SMILESO=C(O)NCc1ncccc1CO
InChIInChI=1S/C8H10N2O3/c11-5-6-2-1-3-9-7(6)4-10-8(12)13/h1-3,10-11H,4-5H2,(H,12,13)
InChIKeyFAFOROOKTNEAPF-UHFFFAOYSA-N
XLogP0.34
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid
CID 68918958
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
(3-propan-2-ylsulfonyl-2-pyridinyl)methylcarbamic acid
CID 69120624
[2-(hydroxymethyl)-3-pyridinyl]carbamic acid
CID 69010841
[2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid
CID 66957874
2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82737778
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
(2S)-2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 82749098
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
CID 116657152
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid?
The IUPAC name of [3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid (CID 155209331) is [3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid?
The canonical SMILES for [3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid is O=C(O)NCc1ncccc1CO.
What is the InChIKey of [3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid?
The InChIKey is FAFOROOKTNEAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-5-6-2-1-3-9-7(6)4-10-8(12)13/h1-3,10-11H,4-5H2,(H,12,13).
What are the key properties of [3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid?
[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid has a molecular weight of 182.18 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 155209331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).