(5-chloro-6-ethoxy-3-pyridinyl)carbamic acid

C8H9ClN2O3 — CID 118540048

IUPAC(5-chloro-6-ethoxy-3-pyridinyl)carbamic acid
SMILESCCOc1ncc(NC(=O)O)cc1Cl
InChIInChI=1S/C8H9ClN2O3/c1-2-14-7-6(9)3-5(4-10-7)11-8(12)13/h3-4,11H,2H2,1H3,(H,12,13)
InChIKeyDXWGFNHAYXHLAZ-UHFFFAOYSA-N
MW216.62 g/mol
LogP2.22
Rot. Bonds3

About (5-chloro-6-ethoxy-3-pyridinyl)carbamic acid

(5-chloro-6-ethoxy-3-pyridinyl)carbamic acid (PubChem CID 118540048) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is (5-chloro-6-ethoxy-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(5-chloro-6-ethoxy-3-pyridinyl)carbamic acid
PubChem CID118540048
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name(5-chloro-6-ethoxy-3-pyridinyl)carbamic acid
SMILESCCOc1ncc(NC(=O)O)cc1Cl
InChIInChI=1S/C8H9ClN2O3/c1-2-14-7-6(9)3-5(4-10-7)11-8(12)13/h3-4,11H,2H2,1H3,(H,12,13)
InChIKeyDXWGFNHAYXHLAZ-UHFFFAOYSA-N
XLogP2.22
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[4-[(5-chloro-6-ethoxy-3-pyridinyl)carbamoyloxy]-4-methylpentoxy]pyridine-3-carboxylic acid
CID 129099587
2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 164750475
5-bromo-3-chloro-2-ethoxypyridine
CID 71303680
(2R)-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methoxy-2-methylbutanamide
CID 100774062
[2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid
CID 118497438
1-(3-chloro-4-methylphenyl)-3-(2,4-diethoxypyrimidin-5-yl)urea
CID 122304312
5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide
CID 111596458
N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide
CID 100770531
ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate
CID 11177946
4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 81233280
(2R)-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methoxy-2-methylhexanamide
CID 100774797
2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylhexanamide
CID 133205760

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-ethoxy-3-pyridinyl)carbamic acid?
The IUPAC name of (5-chloro-6-ethoxy-3-pyridinyl)carbamic acid (CID 118540048) is (5-chloro-6-ethoxy-3-pyridinyl)carbamic acid.
What is the SMILES notation for (5-chloro-6-ethoxy-3-pyridinyl)carbamic acid?
The canonical SMILES for (5-chloro-6-ethoxy-3-pyridinyl)carbamic acid is CCOc1ncc(NC(=O)O)cc1Cl.
What is the InChIKey of (5-chloro-6-ethoxy-3-pyridinyl)carbamic acid?
The InChIKey is DXWGFNHAYXHLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-2-14-7-6(9)3-5(4-10-7)11-8(12)13/h3-4,11H,2H2,1H3,(H,12,13).
What are the key properties of (5-chloro-6-ethoxy-3-pyridinyl)carbamic acid?
(5-chloro-6-ethoxy-3-pyridinyl)carbamic acid has a molecular weight of 216.62 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-ethoxy-3-pyridinyl)carbamic acid is sourced from PubChem (CID 118540048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).