4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

C12H11ClN4O — CID 2841994

IUPAC4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc(Cl)cc(NN=Cc2ccc(O)cc2)n1
InChIInChI=1S/C12H11ClN4O/c1-8-15-11(13)6-12(16-8)17-14-7-9-2-4-10(18)5-3-9/h2-7,18H,1H3,(H,15,16,17)
InChIKeyUAZSEFBSZCQEGM-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.59
Rot. Bonds3

About 4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 2841994) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID2841994
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc(Cl)cc(NN=Cc2ccc(O)cc2)n1
InChIInChI=1S/C12H11ClN4O/c1-8-15-11(13)6-12(16-8)17-14-7-9-2-4-10(18)5-3-9/h2-7,18H,1H3,(H,15,16,17)
InChIKeyUAZSEFBSZCQEGM-UHFFFAOYSA-N
XLogP2.59
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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 4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 2841994) is 4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is Cc1nc(Cl)cc(NN=Cc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is UAZSEFBSZCQEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-8-15-11(13)6-12(16-8)17-14-7-9-2-4-10(18)5-3-9/h2-7,18H,1H3,(H,15,16,17).
What are the key properties of 4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 262.70 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 2841994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).