(2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid

C8H10N2O3 — CID 89156508

IUPAC(2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid
SMILESCc1cc(CNC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-5-2-6(3-7(11)10-5)4-9-8(12)13/h2-3,9H,4H2,1H3,(H,10,11)(H,12,13)
InChIKeyYOSZOHTUZGULLL-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.45
Rot. Bonds2

About (2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid

(2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid (PubChem CID 89156508) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid.

Molecular Properties

Compound Name(2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid
PubChem CID89156508
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid
SMILESCc1cc(CNC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-5-2-6(3-7(11)10-5)4-9-8(12)13/h2-3,9H,4H2,1H3,(H,10,11)(H,12,13)
InChIKeyYOSZOHTUZGULLL-UHFFFAOYSA-N
XLogP0.45
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid?
The IUPAC name of (2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid (CID 89156508) is (2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid.
What is the SMILES notation for (2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid?
The canonical SMILES for (2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid is Cc1cc(CNC(=O)O)cc(=O)[nH]1.
What is the InChIKey of (2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid?
The InChIKey is YOSZOHTUZGULLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-2-6(3-7(11)10-5)4-9-8(12)13/h2-3,9H,4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of (2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid?
(2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid has a molecular weight of 182.18 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid is sourced from PubChem (CID 89156508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).