[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate

C16H9Cl2NO4 — CID 1205195

IUPAC[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate
SMILESO=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccco1
InChIInChI=1S/C16H9Cl2NO4/c17-10-8-13(18)15(19-9-10)22-11-3-5-12(6-4-11)23-16(20)14-2-1-7-21-14/h1-9H
InChIKeyNHVPTMCDYIKSJZ-UHFFFAOYSA-N
MW350.16 g/mol
LogP4.99
Rot. Bonds4

About [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate

[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate (PubChem CID 1205195) has the molecular formula C16H9Cl2NO4 and a molecular weight of 350.16 g/mol. Its IUPAC name is [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate
PubChem CID1205195
Molecular FormulaC16H9Cl2NO4
Molecular Weight350.16 g/mol
Exact Mass348.99
IUPAC Name[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate
SMILESO=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccco1
InChIInChI=1S/C16H9Cl2NO4/c17-10-8-13(18)15(19-9-10)22-11-3-5-12(6-4-11)23-16(20)14-2-1-7-21-14/h1-9H
InChIKeyNHVPTMCDYIKSJZ-UHFFFAOYSA-N
XLogP4.99
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-3-pyridinyl 2-furoate
CID 7230550
Pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
CID 1084316
Chlorazifop
CID 173715
Foe 3440 A
CID 160310
Prop-2-ynyl 2-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]propionate
CID 91712
2-Ethoxyethyl 2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]propanoate
CID 2817950
Methyl 2-[4-(3,5-dichloro-2-pyridyloxy)phenoxy]propionate
CID 2817949
Propanoic acid, 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-, ethyl ester
CID 2829855
AC1LE1B1
CID 728696
3-Chloro-5-(furan-2-ylmethoxy)pyridine
CID 16203683
4-[(3,5-Dichloropyridin-2-yl)oxy]phenyl 2,3,3,3-tetrafluoro-2-methoxypropanoate
CID 3383666
methyl (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 728698

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate?
The IUPAC name of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate (CID 1205195) is [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate?
The canonical SMILES for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate is O=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccco1.
What is the InChIKey of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate?
The InChIKey is NHVPTMCDYIKSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO4/c17-10-8-13(18)15(19-9-10)22-11-3-5-12(6-4-11)23-16(20)14-2-1-7-21-14/h1-9H.
What are the key properties of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate?
[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate has a molecular weight of 350.16 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] furan-2-carboxylate is sourced from PubChem (CID 1205195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).