[(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate

C14H9Cl2FN2O3 — CID 6877271

IUPAC[(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate
SMILESCOc1ccccc1/C=N/OC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C14H9Cl2FN2O3/c1-21-11-5-3-2-4-8(11)7-18-22-14(20)9-6-10(17)13(16)19-12(9)15/h2-7H,1H3/b18-7+
InChIKeyGHBKTEADALXWKL-CNHKJKLMSA-N
MW343.14 g/mol
LogP3.73
Rot. Bonds4

About [(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate

[(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate (PubChem CID 6877271) has the molecular formula C14H9Cl2FN2O3 and a molecular weight of 343.14 g/mol. Its IUPAC name is [(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Name[(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate
PubChem CID6877271
Molecular FormulaC14H9Cl2FN2O3
Molecular Weight343.14 g/mol
Exact Mass342.00
IUPAC Name[(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate
SMILESCOc1ccccc1/C=N/OC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C14H9Cl2FN2O3/c1-21-11-5-3-2-4-8(11)7-18-22-14(20)9-6-10(17)13(16)19-12(9)15/h2-7H,1H3/b18-7+
InChIKeyGHBKTEADALXWKL-CNHKJKLMSA-N
XLogP3.73
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate?
The IUPAC name of [(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate (CID 6877271) is [(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate.
What is the SMILES notation for [(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate?
The canonical SMILES for [(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate is COc1ccccc1/C=N/OC(=O)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of [(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate?
The InChIKey is GHBKTEADALXWKL-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O3/c1-21-11-5-3-2-4-8(11)7-18-22-14(20)9-6-10(17)13(16)19-12(9)15/h2-7H,1H3/b18-7+.
What are the key properties of [(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate?
[(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate has a molecular weight of 343.14 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-methoxyphenyl)methylideneamino] 2,6-dichloro-5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 6877271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).