2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol

C11H9ClN4O — CID 137174985

IUPAC2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ncc(Cl)cn1
InChIInChI=1S/C11H9ClN4O/c12-9-6-13-11(14-7-9)16-15-5-8-3-1-2-4-10(8)17/h1-7,17H,(H,13,14,16)/b15-5+
InChIKeyYTOPSPKGWUVJIK-PJQLUOCWSA-N
MW248.67 g/mol
LogP2.28
Rot. Bonds3

About 2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol

2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 137174985) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID137174985
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ncc(Cl)cn1
InChIInChI=1S/C11H9ClN4O/c12-9-6-13-11(14-7-9)16-15-5-8-3-1-2-4-10(8)17/h1-7,17H,(H,13,14,16)/b15-5+
InChIKeyYTOPSPKGWUVJIK-PJQLUOCWSA-N
XLogP2.28
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[(5-Bromo-pyrimidin-2-yl)-hydrazonomethyl]-phenol
CID 135458767
4-{(E)-[2-(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 135460447
Phenol, 4-[(2,4-diamino-5-pyrimidinyl)methyl]-
CID 13112727
3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol
CID 10608757
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-prop-2-enylphenol
CID 14570146
4-[(E)-[(5-Bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135421695
2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol
CID 135421697
3-{(E)-[2-(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 9685289
4-Hydroxybenzaldehyde (6-chloro-2-methyl-4-pyrimidinyl)hydrazone
CID 135504504
(E)-2-((2-(5-fluoro-4-morpholinopyrimidin-2-yl)hydrazono)methyl)phenol
CID 135487489
4-[[2-(5-Bromopyrimidin-2-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one
CID 135421694
3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 155517100

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 137174985) is 2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N/Nc1ncc(Cl)cn1.
What is the InChIKey of 2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is YTOPSPKGWUVJIK-PJQLUOCWSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-9-6-13-11(14-7-9)16-15-5-8-3-1-2-4-10(8)17/h1-7,17H,(H,13,14,16)/b15-5+.
What are the key properties of 2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol?
2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 248.67 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 137174985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).