[6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid

C8H10N2O4 — CID 139580255

IUPAC[6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(C(O)CO)nc1
InChIInChI=1S/C8H10N2O4/c11-4-7(12)6-2-1-5(3-9-6)10-8(13)14/h1-3,7,10-12H,4H2,(H,13,14)
InChIKeyHSAXQICKBAMEBU-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.20
Rot. Bonds3

About [6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid

[6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid (PubChem CID 139580255) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is [6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid
PubChem CID139580255
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name[6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(C(O)CO)nc1
InChIInChI=1S/C8H10N2O4/c11-4-7(12)6-2-1-5(3-9-6)10-8(13)14/h1-3,7,10-12H,4H2,(H,13,14)
InChIKeyHSAXQICKBAMEBU-UHFFFAOYSA-N
XLogP0.20
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid?
The IUPAC name of [6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid (CID 139580255) is [6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid is O=C(O)Nc1ccc(C(O)CO)nc1.
What is the InChIKey of [6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid?
The InChIKey is HSAXQICKBAMEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-4-7(12)6-2-1-5(3-9-6)10-8(13)14/h1-3,7,10-12H,4H2,(H,13,14).
What are the key properties of [6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid?
[6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid has a molecular weight of 198.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 139580255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).