(3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate

C15H10Cl2N2O3 — CID 71382635

IUPAC(3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate
SMILESCC(Oc1ccc(Cl)nc1Cl)C(=O)Oc1cccc(C#N)c1
InChIInChI=1S/C15H10Cl2N2O3/c1-9(21-12-5-6-13(16)19-14(12)17)15(20)22-11-4-2-3-10(7-11)8-18/h2-7,9H,1H3
InChIKeyHOQJRTHYPFFURA-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.63
Rot. Bonds4

About (3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate

(3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate (PubChem CID 71382635) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is (3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate.

Molecular Properties

Compound Name(3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate
PubChem CID71382635
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name(3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate
SMILESCC(Oc1ccc(Cl)nc1Cl)C(=O)Oc1cccc(C#N)c1
InChIInChI=1S/C15H10Cl2N2O3/c1-9(21-12-5-6-13(16)19-14(12)17)15(20)22-11-4-2-3-10(7-11)8-18/h2-7,9H,1H3
InChIKeyHOQJRTHYPFFURA-UHFFFAOYSA-N
XLogP3.63
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chlorohexyl 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate
CID 54316997
3-[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 62030483
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
(4-cyanophenyl) (2R)-2-(4-chlorophenoxy)propanoate
CID 7913075
(3-methoxyphenyl)methyl 2-(3-cyanophenoxy)propanoate
CID 47718097
methyl (E)-3-[3-[2-(4-chloro-2-methylphenoxy)propanoyloxy]phenyl]-2-cyanoprop-2-enoate
CID 19194813
3-(1-hydroxypropan-2-yloxy)benzonitrile
CID 126975960
3-(1-aminopropan-2-yloxy)benzonitrile
CID 82224541
N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-cyanophenoxy)propanamide
CID 75418442
(3-cyanophenyl) 2-methylquinoline-4-carboxylate
CID 18080090
(3-cyanophenyl) 2-(difluoromethoxy)benzoate
CID 18080102
(3-cyanophenyl)methyl 2-phenoxypropanoate
CID 24671771

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate?
The IUPAC name of (3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate (CID 71382635) is (3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate.
What is the SMILES notation for (3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate?
The canonical SMILES for (3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate is CC(Oc1ccc(Cl)nc1Cl)C(=O)Oc1cccc(C#N)c1.
What is the InChIKey of (3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate?
The InChIKey is HOQJRTHYPFFURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c1-9(21-12-5-6-13(16)19-14(12)17)15(20)22-11-4-2-3-10(7-11)8-18/h2-7,9H,1H3.
What are the key properties of (3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate?
(3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate has a molecular weight of 337.16 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl) 2-[(2,6-dichloro-3-pyridinyl)oxy]propanoate is sourced from PubChem (CID 71382635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).