methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate

C13H10Cl2N2O3 — CID 75446411

IUPACmethyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1OCc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N2O3/c1-19-13(18)12-11(3-2-4-16-12)20-7-10-9(15)5-8(14)6-17-10/h2-6H,7H2,1H3
InChIKeyFLBXDAZHCTZOQE-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.15
Rot. Bonds4

About methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate

methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate (PubChem CID 75446411) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate
PubChem CID75446411
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Namemethyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1OCc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N2O3/c1-19-13(18)12-11(3-2-4-16-12)20-7-10-9(15)5-8(14)6-17-10/h2-6H,7H2,1H3
InChIKeyFLBXDAZHCTZOQE-UHFFFAOYSA-N
XLogP3.15
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate (CID 75446411) is methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate is COC(=O)c1ncccc1OCc1ncc(Cl)cc1Cl.
What is the InChIKey of methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate?
The InChIKey is FLBXDAZHCTZOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c1-19-13(18)12-11(3-2-4-16-12)20-7-10-9(15)5-8(14)6-17-10/h2-6H,7H2,1H3.
What are the key properties of methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate?
methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate has a molecular weight of 313.14 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 75446411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).