2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol

C18H14Cl2N4O2 — CID 135403070

IUPAC2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCc1cc(N/N=C/c2cc(Cl)cc(Cl)c2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H14Cl2N4O2/c1-10-6-16(23-18(22-10)13-4-2-3-5-15(13)25)24-21-9-11-7-12(19)8-14(20)17(11)26/h2-9,25-26H,1H3,(H,22,23,24)/b21-9+
InChIKeyPEGCHCPTPNGBHM-ZVBGSRNCSA-N
MW389.24 g/mol
LogP4.62
Rot. Bonds4

About 2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol

2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 135403070) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID135403070
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCc1cc(N/N=C/c2cc(Cl)cc(Cl)c2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H14Cl2N4O2/c1-10-6-16(23-18(22-10)13-4-2-3-5-15(13)25)24-21-9-11-7-12(19)8-14(20)17(11)26/h2-9,25-26H,1H3,(H,22,23,24)/b21-9+
InChIKeyPEGCHCPTPNGBHM-ZVBGSRNCSA-N
XLogP4.62
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 135403070) is 2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol is Cc1cc(N/N=C/c2cc(Cl)cc(Cl)c2O)nc(-c2ccccc2O)n1.
What is the InChIKey of 2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is PEGCHCPTPNGBHM-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-10-6-16(23-18(22-10)13-4-2-3-5-15(13)25)24-21-9-11-7-12(19)8-14(20)17(11)26/h2-9,25-26H,1H3,(H,22,23,24)/b21-9+.
What are the key properties of 2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 389.24 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135403070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).