(6-acetyl-3-pyridinyl)carbamic acid

C8H8N2O3 — CID 121318234

IUPAC(6-acetyl-3-pyridinyl)carbamic acid
SMILESCC(=O)c1ccc(NC(=O)O)cn1
InChIInChI=1S/C8H8N2O3/c1-5(11)7-3-2-6(4-9-7)10-8(12)13/h2-4,10H,1H3,(H,12,13)
InChIKeyJSONVPBSULYMJR-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.37
Rot. Bonds2

About (6-acetyl-3-pyridinyl)carbamic acid

(6-acetyl-3-pyridinyl)carbamic acid (PubChem CID 121318234) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is (6-acetyl-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(6-acetyl-3-pyridinyl)carbamic acid
PubChem CID121318234
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name(6-acetyl-3-pyridinyl)carbamic acid
SMILESCC(=O)c1ccc(NC(=O)O)cn1
InChIInChI=1S/C8H8N2O3/c1-5(11)7-3-2-6(4-9-7)10-8(12)13/h2-4,10H,1H3,(H,12,13)
InChIKeyJSONVPBSULYMJR-UHFFFAOYSA-N
XLogP1.37
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamidopyridine-2-carboxylic acid
CID 5278292
[6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid
CID 175757670
6-acetylpyridine-3-carboxylic acid
CID 22323784
[6-(aminomethyl)-3-pyridinyl]carbamic acid
CID 118212846
(6-ethynyl-3-pyridinyl)carbamic acid
CID 87204511
[6-[(2-methyl-2-phosphonooxypropyl)carbamoyl]-3-pyridinyl]carbamic acid
CID 175372321
[6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid
CID 66917597
1-(5-phenyl-2-pyridinyl)ethanone
CID 12054301
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
5-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670888
5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid
CID 107938243
[6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid
CID 139580255

Frequently Asked Questions

What is the IUPAC name of (6-acetyl-3-pyridinyl)carbamic acid?
The IUPAC name of (6-acetyl-3-pyridinyl)carbamic acid (CID 121318234) is (6-acetyl-3-pyridinyl)carbamic acid.
What is the SMILES notation for (6-acetyl-3-pyridinyl)carbamic acid?
The canonical SMILES for (6-acetyl-3-pyridinyl)carbamic acid is CC(=O)c1ccc(NC(=O)O)cn1.
What is the InChIKey of (6-acetyl-3-pyridinyl)carbamic acid?
The InChIKey is JSONVPBSULYMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-5(11)7-3-2-6(4-9-7)10-8(12)13/h2-4,10H,1H3,(H,12,13).
What are the key properties of (6-acetyl-3-pyridinyl)carbamic acid?
(6-acetyl-3-pyridinyl)carbamic acid has a molecular weight of 180.16 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyl-3-pyridinyl)carbamic acid is sourced from PubChem (CID 121318234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).