ethyl 3-chloro-6-methoxypyridine-2-carboxylate

C9H10ClNO3 — CID 46311313

IUPACethyl 3-chloro-6-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(OC)ccc1Cl
InChIInChI=1S/C9H10ClNO3/c1-3-14-9(12)8-6(10)4-5-7(11-8)13-2/h4-5H,3H2,1-2H3
InChIKeyNJDUTHCGBDJKTR-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.92
Rot. Bonds3

About ethyl 3-chloro-6-methoxypyridine-2-carboxylate

ethyl 3-chloro-6-methoxypyridine-2-carboxylate (PubChem CID 46311313) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is ethyl 3-chloro-6-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-6-methoxypyridine-2-carboxylate
PubChem CID46311313
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Nameethyl 3-chloro-6-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(OC)ccc1Cl
InChIInChI=1S/C9H10ClNO3/c1-3-14-9(12)8-6(10)4-5-7(11-8)13-2/h4-5H,3H2,1-2H3
InChIKeyNJDUTHCGBDJKTR-UHFFFAOYSA-N
XLogP1.92
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide
CID 171547824
ethyl 6-amino-5-chloropyridine-2-carboxylate
CID 138112595
3-chloro-6-ethoxy-N-methylpyridine-2-carboxamide
CID 47377989
(3-chloro-6-methoxy-2-pyridinyl)methanol
CID 51341990
diethyl 3,4,5-trichloropyridine-2,6-dicarboxylate;ethane
CID 145166855
ethyl 5-amino-4-chloro-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 112707174
ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate
CID 10489867
diethyl 7-chloro-8-methylquinoline-2,3-dicarboxylate
CID 17040030
ethyl 6-bromo-5-chloropyridine-2-carboxylate
CID 46311447
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloro-6-ethoxypyridine-2-carboxylate
CID 47072609
ethyl 7-chloro-12-methoxy-3,5-dimethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-4-carboxylate
CID 110170097
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-6-methoxypyridine-2-carboxylate?
The IUPAC name of ethyl 3-chloro-6-methoxypyridine-2-carboxylate (CID 46311313) is ethyl 3-chloro-6-methoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-chloro-6-methoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 3-chloro-6-methoxypyridine-2-carboxylate is CCOC(=O)c1nc(OC)ccc1Cl.
What is the InChIKey of ethyl 3-chloro-6-methoxypyridine-2-carboxylate?
The InChIKey is NJDUTHCGBDJKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-3-14-9(12)8-6(10)4-5-7(11-8)13-2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 3-chloro-6-methoxypyridine-2-carboxylate?
ethyl 3-chloro-6-methoxypyridine-2-carboxylate has a molecular weight of 215.64 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-6-methoxypyridine-2-carboxylate is sourced from PubChem (CID 46311313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).