4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide

C13H10Cl2N2O2 — CID 55127310

IUPAC4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide
SMILESNC(=O)c1ccc(OCc2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H10Cl2N2O2/c14-10-5-6-12(15)17-11(10)7-19-9-3-1-8(2-4-9)13(16)18/h1-6H,7H2,(H2,16,18)
InChIKeyVWJVNYPZAUFHPV-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.07
Rot. Bonds4

About 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide

4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide (PubChem CID 55127310) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide.

Molecular Properties

Compound Name4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide
PubChem CID55127310
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide
SMILESNC(=O)c1ccc(OCc2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H10Cl2N2O2/c14-10-5-6-12(15)17-11(10)7-19-9-3-1-8(2-4-9)13(16)18/h1-6H,7H2,(H2,16,18)
InChIKeyVWJVNYPZAUFHPV-UHFFFAOYSA-N
XLogP3.07
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzoate
CID 59756933
3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine
CID 62892935
2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol
CID 104743978
5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62887232
5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine
CID 55127794
4-[(4-chloro-2-pyridinyl)methoxy]benzamide
CID 79255855
4-(1H-benzimidazol-2-ylmethoxy)benzamide
CID 142600756
(3,6-dichloro-2-pyridinyl)methyl 1,3-benzodioxole-5-carboxylate
CID 56528427
3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
CID 102668814
(3,6-dichloro-2-pyridinyl)methyl 5-methylthiophene-2-carboxylate
CID 51133716
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide
CID 9356011

Frequently Asked Questions

What is the IUPAC name of 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide?
The IUPAC name of 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide (CID 55127310) is 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide.
What is the SMILES notation for 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide?
The canonical SMILES for 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide is NC(=O)c1ccc(OCc2nc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide?
The InChIKey is VWJVNYPZAUFHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-10-5-6-12(15)17-11(10)7-19-9-3-1-8(2-4-9)13(16)18/h1-6H,7H2,(H2,16,18).
What are the key properties of 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide?
4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide has a molecular weight of 297.14 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide is sourced from PubChem (CID 55127310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).