methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate

C14H10ClNO4 — CID 71668878

IUPACmethyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Oc2ccc(C=O)cc2Cl)c1
InChIInChI=1S/C14H10ClNO4/c1-19-14(18)10-4-5-16-13(7-10)20-12-3-2-9(8-17)6-11(12)15/h2-8H,1H3
InChIKeyIWZISUIHTDMLCG-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.13
Rot. Bonds4

About methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate

methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate (PubChem CID 71668878) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate
PubChem CID71668878
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Namemethyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Oc2ccc(C=O)cc2Cl)c1
InChIInChI=1S/C14H10ClNO4/c1-19-14(18)10-4-5-16-13(7-10)20-12-3-2-9(8-17)6-11(12)15/h2-8H,1H3
InChIKeyIWZISUIHTDMLCG-UHFFFAOYSA-N
XLogP3.13
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate
CID 167057664
methyl 2-[2-chloro-4-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate
CID 168624404
methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate
CID 170155080
methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate
CID 168652704
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
(2-chloro-4-formylphenyl) naphthalene-2-carboxylate
CID 804637
methyl 2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]pyridine-4-carboxylate
CID 168627359
dimethyl 5-formylbenzene-1,3-dicarboxylate
CID 15183982
methyl 2-(3,4-dichlorophenyl)sulfanylpyridine-4-carboxylate
CID 114075144
3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
CID 81151107
3-chloro-4-(2-oxobutoxy)benzaldehyde
CID 62039792
3-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 81151574

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate (CID 71668878) is methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate is COC(=O)c1ccnc(Oc2ccc(C=O)cc2Cl)c1.
What is the InChIKey of methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate?
The InChIKey is IWZISUIHTDMLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c1-19-14(18)10-4-5-16-13(7-10)20-12-3-2-9(8-17)6-11(12)15/h2-8H,1H3.
What are the key properties of methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate?
methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate has a molecular weight of 291.69 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate is sourced from PubChem (CID 71668878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).