3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol

C11H9ClN4O — CID 155673726

IUPAC3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1cccc(C=NNc2cc(Cl)ncn2)c1
InChIInChI=1S/C11H9ClN4O/c12-10-5-11(14-7-13-10)16-15-6-8-2-1-3-9(17)4-8/h1-7,17H,(H,13,14,16)
InChIKeyAEWGHTCUTFNUPY-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.28
Rot. Bonds3

About 3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol

3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 155673726) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID155673726
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1cccc(C=NNc2cc(Cl)ncn2)c1
InChIInChI=1S/C11H9ClN4O/c12-10-5-11(14-7-13-10)16-15-6-8-2-1-3-9(17)4-8/h1-7,17H,(H,13,14,16)
InChIKeyAEWGHTCUTFNUPY-UHFFFAOYSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide
CID 155673746
3-[(Z)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 6413627
4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine
CID 86279724
3-[(E)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 92856506
6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 1417226
3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 139976250
3-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 110509088
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine
CID 21237326
3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 39869221
3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 5340802
2-(3-chlorophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5401693

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 155673726) is 3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol is Oc1cccc(C=NNc2cc(Cl)ncn2)c1.
What is the InChIKey of 3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is AEWGHTCUTFNUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-10-5-11(14-7-13-10)16-15-6-8-2-1-3-9(17)4-8/h1-7,17H,(H,13,14,16).
What are the key properties of 3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol?
3-[[(6-chloropyrimidin-4-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 3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 155673726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).