2-methoxyethyl 4-chloropyridine-3-carboxylate

C9H10ClNO3 — CID 115885964

IUPAC2-methoxyethyl 4-chloropyridine-3-carboxylate
SMILESCOCCOC(=O)c1cnccc1Cl
InChIInChI=1S/C9H10ClNO3/c1-13-4-5-14-9(12)7-6-11-3-2-8(7)10/h2-3,6H,4-5H2,1H3
InChIKeyDSMWWUBWNBBCRI-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.54
Rot. Bonds4

About 2-methoxyethyl 4-chloropyridine-3-carboxylate

2-methoxyethyl 4-chloropyridine-3-carboxylate (PubChem CID 115885964) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-methoxyethyl 4-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-chloropyridine-3-carboxylate
PubChem CID115885964
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name2-methoxyethyl 4-chloropyridine-3-carboxylate
SMILESCOCCOC(=O)c1cnccc1Cl
InChIInChI=1S/C9H10ClNO3/c1-13-4-5-14-9(12)7-6-11-3-2-8(7)10/h2-3,6H,4-5H2,1H3
InChIKeyDSMWWUBWNBBCRI-UHFFFAOYSA-N
XLogP1.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-methoxypyridine-3-carboxamide
CID 103871256
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate
CID 105076040
2-methoxyethyl 2,5-dichloropyridine-4-carboxylate
CID 114929181
4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 82948658
(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate
CID 115885965
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 81228254
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
methyl 3-chloropyridine-4-carboxylate
CID 15324397
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-one
CID 65094552
4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 81227235
4-chloro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103867838

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-chloropyridine-3-carboxylate?
The IUPAC name of 2-methoxyethyl 4-chloropyridine-3-carboxylate (CID 115885964) is 2-methoxyethyl 4-chloropyridine-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-chloropyridine-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-chloropyridine-3-carboxylate is COCCOC(=O)c1cnccc1Cl.
What is the InChIKey of 2-methoxyethyl 4-chloropyridine-3-carboxylate?
The InChIKey is DSMWWUBWNBBCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-13-4-5-14-9(12)7-6-11-3-2-8(7)10/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-methoxyethyl 4-chloropyridine-3-carboxylate?
2-methoxyethyl 4-chloropyridine-3-carboxylate has a molecular weight of 215.64 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-chloropyridine-3-carboxylate is sourced from PubChem (CID 115885964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).