2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol

C8H9ClFNO2 — CID 84778798

IUPAC2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol
SMILESCN(O)Cc1cc(O)c(Cl)c(F)c1
InChIInChI=1S/C8H9ClFNO2/c1-11(13)4-5-2-6(10)8(9)7(12)3-5/h2-3,12-13H,4H2,1H3
InChIKeyGMSFQKJOKPJGRP-UHFFFAOYSA-N
MW205.62 g/mol
LogP2.01
Rot. Bonds2

About 2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol

2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol (PubChem CID 84778798) has the molecular formula C8H9ClFNO2 and a molecular weight of 205.62 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol
PubChem CID84778798
Molecular FormulaC8H9ClFNO2
Molecular Weight205.62 g/mol
Exact Mass205.03
IUPAC Name2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol
SMILESCN(O)Cc1cc(O)c(Cl)c(F)c1
InChIInChI=1S/C8H9ClFNO2/c1-11(13)4-5-2-6(10)8(9)7(12)3-5/h2-3,12-13H,4H2,1H3
InChIKeyGMSFQKJOKPJGRP-UHFFFAOYSA-N
XLogP2.01
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol
CID 84785748
2-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol
CID 84765888
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
CID 82976577
2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol
CID 84769622
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84777598
2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol
CID 107693926
5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84797746
1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone
CID 122479981
3-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 66733620
(3,5-difluoro-4-hydroxyphenyl)methylazanium chloride
CID 10488096
2-(4-chloro-3-hydroxy-5-methylphenyl)acetonitrile
CID 84768635

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol (CID 84778798) is 2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol is CN(O)Cc1cc(O)c(Cl)c(F)c1.
What is the InChIKey of 2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol?
The InChIKey is GMSFQKJOKPJGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2/c1-11(13)4-5-2-6(10)8(9)7(12)3-5/h2-3,12-13H,4H2,1H3.
What are the key properties of 2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol?
2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol has a molecular weight of 205.62 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol is sourced from PubChem (CID 84778798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).