2-chloro-4-fluoro-6-methanimidoylphenol

C7H5ClFNO — CID 137299658

IUPAC2-chloro-4-fluoro-6-methanimidoylphenol
SMILES[H]/N=C/c1cc(F)cc(Cl)c1O
InChIInChI=1S/C7H5ClFNO/c8-6-2-5(9)1-4(3-10)7(6)11/h1-3,10-11H/b10-3+
InChIKeyYVGURYKZDCTYCN-XCVCLJGOSA-N
MW173.57 g/mol
LogP2.18
Rot. Bonds1

About 2-chloro-4-fluoro-6-methanimidoylphenol

2-chloro-4-fluoro-6-methanimidoylphenol (PubChem CID 137299658) has the molecular formula C7H5ClFNO and a molecular weight of 173.57 g/mol. Its IUPAC name is 2-chloro-4-fluoro-6-methanimidoylphenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-6-methanimidoylphenol
PubChem CID137299658
Molecular FormulaC7H5ClFNO
Molecular Weight173.57 g/mol
Exact Mass173.00
IUPAC Name2-chloro-4-fluoro-6-methanimidoylphenol
SMILES[H]/N=C/c1cc(F)cc(Cl)c1O
InChIInChI=1S/C7H5ClFNO/c8-6-2-5(9)1-4(3-10)7(6)11/h1-3,10-11H/b10-3+
InChIKeyYVGURYKZDCTYCN-XCVCLJGOSA-N
XLogP2.18
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.57
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-methanimidoyl-4-methylphenol
CID 143431027
2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol
CID 117290378
(E)-3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 170873526
methyl 4-(3-chloro-5-fluoro-2-hydroxyphenyl)but-3-enoate
CID 170500822
2-amino-6-chloro-4-fluorophenol
CID 11275173
S-[3-(3-chloro-5-fluoro-2-hydroxyphenyl)prop-2-enyl] ethanethioate
CID 169457138
2-chloro-4-fluoro-6-[3-hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenol
CID 170801393
2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314960
methyl (2S)-2-amino-2-(3-chloro-5-fluoro-2-hydroxyphenyl)acetate
CID 131512220
3-chloro-2,5-difluorophenol
CID 84651989
2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol
CID 130989106
5-amino-4-methanimidoyl-2-methylphenol
CID 164586972

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-6-methanimidoylphenol?
The IUPAC name of 2-chloro-4-fluoro-6-methanimidoylphenol (CID 137299658) is 2-chloro-4-fluoro-6-methanimidoylphenol.
What is the SMILES notation for 2-chloro-4-fluoro-6-methanimidoylphenol?
The canonical SMILES for 2-chloro-4-fluoro-6-methanimidoylphenol is [H]/N=C/c1cc(F)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-fluoro-6-methanimidoylphenol?
The InChIKey is YVGURYKZDCTYCN-XCVCLJGOSA-N. The full InChI is InChI=1S/C7H5ClFNO/c8-6-2-5(9)1-4(3-10)7(6)11/h1-3,10-11H/b10-3+.
What are the key properties of 2-chloro-4-fluoro-6-methanimidoylphenol?
2-chloro-4-fluoro-6-methanimidoylphenol has a molecular weight of 173.57 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-6-methanimidoylphenol is sourced from PubChem (CID 137299658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).