2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide

C15H12Br2ClN3O3 — CID 135821657

IUPAC2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cccnc2Cl)c(Br)c(Br)c1O
InChIInChI=1S/C15H12Br2ClN3O3/c1-2-24-10-6-8(11(16)12(17)13(10)22)7-20-21-15(23)9-4-3-5-19-14(9)18/h3-7,22H,2H2,1H3,(H,21,23)/b20-7+
InChIKeyUQLHAYHEYLKBQR-IFRROFPPSA-N
MW477.54 g/mol
LogP4.13
Rot. Bonds5

About 2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide

2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135821657) has the molecular formula C15H12Br2ClN3O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID135821657
Molecular FormulaC15H12Br2ClN3O3
Molecular Weight477.54 g/mol
Exact Mass474.89
IUPAC Name2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cccnc2Cl)c(Br)c(Br)c1O
InChIInChI=1S/C15H12Br2ClN3O3/c1-2-24-10-6-8(11(16)12(17)13(10)22)7-20-21-15(23)9-4-3-5-19-14(9)18/h3-7,22H,2H2,1H3,(H,21,23)/b20-7+
InChIKeyUQLHAYHEYLKBQR-IFRROFPPSA-N
XLogP4.13
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
CID 3948265
2-chloro-N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135926015
2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 3933448
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 4319773
3-bromo-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135579634
N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135644732
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
CID 5024902
2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 139301919
2-[5-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 5111841
N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137162400
(2R)-N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 136816629
methyl 2-[4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 3513981

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 135821657) is 2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide is CCOc1cc(/C=N/NC(=O)c2cccnc2Cl)c(Br)c(Br)c1O.
What is the InChIKey of 2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is UQLHAYHEYLKBQR-IFRROFPPSA-N. The full InChI is InChI=1S/C15H12Br2ClN3O3/c1-2-24-10-6-8(11(16)12(17)13(10)22)7-20-21-15(23)9-4-3-5-19-14(9)18/h3-7,22H,2H2,1H3,(H,21,23)/b20-7+.
What are the key properties of 2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135821657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).