methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate

C14H13ClN2O4 — CID 166163088

IUPACmethyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)ncc1-c1cc(Cl)ncc1OC
InChIInChI=1S/C14H13ClN2O4/c1-19-11-7-16-12(15)4-8(11)10-6-17-13(20-2)5-9(10)14(18)21-3/h4-7H,1-3H3
InChIKeyFBPAVUBHUCSNSU-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.60
Rot. Bonds4

About methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate

methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate (PubChem CID 166163088) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate
PubChem CID166163088
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Namemethyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)ncc1-c1cc(Cl)ncc1OC
InChIInChI=1S/C14H13ClN2O4/c1-19-11-7-16-12(15)4-8(11)10-6-17-13(20-2)5-9(10)14(18)21-3/h4-7H,1-3H3
InChIKeyFBPAVUBHUCSNSU-UHFFFAOYSA-N
XLogP2.60
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate with MolForge

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Related Compounds

5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 166162842
methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636206
methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636667
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid
CID 163391109
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone
CID 134323813
methyl 2-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634404
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839
methyl 2-chloro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133054057
methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051
5-(2-chloro-5-methoxy-4-pyridinyl)-2-cyano-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 166163500

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate?
The IUPAC name of methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate (CID 166163088) is methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate?
The canonical SMILES for methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate is COC(=O)c1cc(OC)ncc1-c1cc(Cl)ncc1OC.
What is the InChIKey of methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate?
The InChIKey is FBPAVUBHUCSNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-19-11-7-16-12(15)4-8(11)10-6-17-13(20-2)5-9(10)14(18)21-3/h4-7H,1-3H3.
What are the key properties of methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate?
methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate has a molecular weight of 308.72 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate is sourced from PubChem (CID 166163088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).