2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol

C11H8ClFN4O — CID 143471099

IUPAC2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cccc1/C=N/Nc1ncc(F)cn1
InChIInChI=1S/C11H8ClFN4O/c12-9-3-1-2-7(10(9)18)4-16-17-11-14-5-8(13)6-15-11/h1-6,18H,(H,14,15,17)/b16-4+
InChIKeyNFZIMKLEUOIOCC-AYSLTRBKSA-N
MW266.66 g/mol
LogP2.42
Rot. Bonds3

About 2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol

2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 143471099) has the molecular formula C11H8ClFN4O and a molecular weight of 266.66 g/mol. Its IUPAC name is 2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID143471099
Molecular FormulaC11H8ClFN4O
Molecular Weight266.66 g/mol
Exact Mass266.04
IUPAC Name2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cccc1/C=N/Nc1ncc(F)cn1
InChIInChI=1S/C11H8ClFN4O/c12-9-3-1-2-7(10(9)18)4-16-17-11-14-5-8(13)6-15-11/h1-6,18H,(H,14,15,17)/b16-4+
InChIKeyNFZIMKLEUOIOCC-AYSLTRBKSA-N
XLogP2.42
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.42
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'}

Analyze 2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-Bromo-pyrimidin-2-yl)-hydrazonomethyl]-phenol
CID 135458767
2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol
CID 135421697
2-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 137225102
2-[[[2,6-Bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol
CID 2851565
2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 137174985
2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol
CID 137225103
3,5-dichloro-2-hydroxybenzaldehyde [6-(4-methyl-1H-pyrazol-1-yl)-4-pyrimidinyl]hydrazone
CID 135536473
2-[(E)-{2-[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene}methyl]-4-chlorophenol
CID 135459087
4-chloro-2-{(1E)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylprop-1-en-1-yl}phenol
CID 50956030
4-chloro-2-[(Z)-{2-[5-fluoro-4-(morpholin-4-yl)pyrimidin-2-yl]hydrazinylidene}methyl]phenol
CID 135628634
2-Chloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol
CID 91402900
4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 135453110

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 143471099) is 2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol is Oc1c(Cl)cccc1/C=N/Nc1ncc(F)cn1.
What is the InChIKey of 2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is NFZIMKLEUOIOCC-AYSLTRBKSA-N. The full InChI is InChI=1S/C11H8ClFN4O/c12-9-3-1-2-7(10(9)18)4-16-17-11-14-5-8(13)6-15-11/h1-6,18H,(H,14,15,17)/b16-4+.
What are the key properties of 2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol?
2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 266.66 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 143471099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).