2-chloro-6-fluoro-3-hydroxybenzonitrile

C7H3ClFNO — CID 83410418

IUPAC2-chloro-6-fluoro-3-hydroxybenzonitrile
SMILESN#Cc1c(F)ccc(O)c1Cl
InChIInChI=1S/C7H3ClFNO/c8-7-4(3-10)5(9)1-2-6(7)11/h1-2,11H
InChIKeyGPTRADPHJMTPHZ-UHFFFAOYSA-N
MW171.56 g/mol
LogP2.06
Rot. Bonds

About 2-chloro-6-fluoro-3-hydroxybenzonitrile

2-chloro-6-fluoro-3-hydroxybenzonitrile (PubChem CID 83410418) has the molecular formula C7H3ClFNO and a molecular weight of 171.56 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-hydroxybenzonitrile.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-hydroxybenzonitrile
PubChem CID83410418
Molecular FormulaC7H3ClFNO
Molecular Weight171.56 g/mol
Exact Mass170.99
IUPAC Name2-chloro-6-fluoro-3-hydroxybenzonitrile
SMILESN#Cc1c(F)ccc(O)c1Cl
InChIInChI=1S/C7H3ClFNO/c8-7-4(3-10)5(9)1-2-6(7)11/h1-2,11H
InChIKeyGPTRADPHJMTPHZ-UHFFFAOYSA-N
XLogP2.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.56
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-6-fluorobenzonitrile
CID 3767163
3,6-difluoro-2-hydroxybenzonitrile
CID 45083150
6-fluoro-2-hydroxy-3-methylbenzonitrile
CID 88974968
methyl 2-(2-chloro-3-cyano-4-fluorophenyl)acetate
CID 171029896
3-chloro-2-fluoro-5,6-dihydroxybenzonitrile
CID 117280912
2-chloro-4-fluoro-3-(methylaminomethyl)phenol
CID 84771303
2,6-dichloro-3,4-dihydroxybenzonitrile
CID 45092966
6-fluoro-2-hydroxy-3-methoxybenzonitrile
CID 117276436
4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile
CID 84674723
ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate
CID 134653675
2-cyano-4-fluoro-3-hydroxybenzenesulfonyl chloride
CID 130934083
1-chloro-6-fluoroisoquinoline-5-carbonitrile
CID 154729639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-hydroxybenzonitrile?
The IUPAC name of 2-chloro-6-fluoro-3-hydroxybenzonitrile (CID 83410418) is 2-chloro-6-fluoro-3-hydroxybenzonitrile.
What is the SMILES notation for 2-chloro-6-fluoro-3-hydroxybenzonitrile?
The canonical SMILES for 2-chloro-6-fluoro-3-hydroxybenzonitrile is N#Cc1c(F)ccc(O)c1Cl.
What is the InChIKey of 2-chloro-6-fluoro-3-hydroxybenzonitrile?
The InChIKey is GPTRADPHJMTPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO/c8-7-4(3-10)5(9)1-2-6(7)11/h1-2,11H.
What are the key properties of 2-chloro-6-fluoro-3-hydroxybenzonitrile?
2-chloro-6-fluoro-3-hydroxybenzonitrile has a molecular weight of 171.56 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-hydroxybenzonitrile is sourced from PubChem (CID 83410418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).