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

C7H8N2O3 — CID 69010841

IUPAC[2-(hydroxymethyl)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cccnc1CO
InChIInChI=1S/C7H8N2O3/c10-4-6-5(9-7(11)12)2-1-3-8-6/h1-3,9-10H,4H2,(H,11,12)
InChIKeyOMQKPNPAQKCLQB-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.66
Rot. Bonds2

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

[2-(hydroxymethyl)-3-pyridinyl]carbamic acid (PubChem CID 69010841) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-pyridinyl]carbamic acid
PubChem CID69010841
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name[2-(hydroxymethyl)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cccnc1CO
InChIInChI=1S/C7H8N2O3/c10-4-6-5(9-7(11)12)2-1-3-8-6/h1-3,9-10H,4H2,(H,11,12)
InChIKeyOMQKPNPAQKCLQB-UHFFFAOYSA-N
XLogP0.66
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenyl-3-pyridinyl)carbamic acid
CID 67312997
[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid
CID 155209331
(2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid
CID 170166465
N-(2-phenacyl-3-pyridinyl)acetamide;hydrochloride
CID 172746297
2,3-dimethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 79042487
2-(3-hydrazinyl-2-pyridinyl)acetic acid
CID 141331560
2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide
CID 143667870
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
tert-butyl N-[2-(bromomethyl)-3-pyridinyl]carbamate
CID 133061112
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146
(2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 80755851

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-pyridinyl]carbamic acid?
The IUPAC name of [2-(hydroxymethyl)-3-pyridinyl]carbamic acid (CID 69010841) is [2-(hydroxymethyl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [2-(hydroxymethyl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [2-(hydroxymethyl)-3-pyridinyl]carbamic acid is O=C(O)Nc1cccnc1CO.
What is the InChIKey of [2-(hydroxymethyl)-3-pyridinyl]carbamic acid?
The InChIKey is OMQKPNPAQKCLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-4-6-5(9-7(11)12)2-1-3-8-6/h1-3,9-10H,4H2,(H,11,12).
What are the key properties of [2-(hydroxymethyl)-3-pyridinyl]carbamic acid?
[2-(hydroxymethyl)-3-pyridinyl]carbamic acid has a molecular weight of 168.15 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 69010841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).