2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile

C8H5ClFNO — CID 84769845

IUPAC2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile
SMILESN#CCc1c(O)ccc(Cl)c1F
InChIInChI=1S/C8H5ClFNO/c9-6-1-2-7(12)5(3-4-11)8(6)10/h1-2,12H,3H2
InChIKeyIPTSLAKKCCPSJY-UHFFFAOYSA-N
MW185.58 g/mol
LogP2.25
Rot. Bonds1

About 2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile

2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile (PubChem CID 84769845) has the molecular formula C8H5ClFNO and a molecular weight of 185.58 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile
PubChem CID84769845
Molecular FormulaC8H5ClFNO
Molecular Weight185.58 g/mol
Exact Mass185.00
IUPAC Name2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile
SMILESN#CCc1c(O)ccc(Cl)c1F
InChIInChI=1S/C8H5ClFNO/c9-6-1-2-7(12)5(3-4-11)8(6)10/h1-2,12H,3H2
InChIKeyIPTSLAKKCCPSJY-UHFFFAOYSA-N
XLogP2.25
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.58
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyanomethyl)-2-fluoro-4-hydroxybenzonitrile
CID 171020824
2-(3-chloro-2,6-difluorophenyl)acetonitrile
CID 2773576
2-(2-chloro-6-hydroxy-3-methylphenyl)acetonitrile
CID 84768638
2-(2,4-dichloro-3-fluorophenyl)acetonitrile
CID 119020930
2-(3-chloro-6-fluoro-2-iodophenyl)acetonitrile
CID 171004728
2-[3,6-dichloro-2-(trifluoromethyl)phenyl]acetonitrile
CID 171009970
2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile
CID 131117865
4-chloro-2,3-difluorobenzonitrile
CID 67940983
6-amino-3-chloro-2-(cyanomethyl)benzonitrile
CID 171021926
2-(3-bromo-2-fluoro-4-hydroxyphenyl)acetonitrile
CID 84793427
2-(cyanomethyl)-3,4-difluorobenzonitrile
CID 130896726
2-(2-chloro-4,6-difluorophenyl)acetonitrile
CID 119020113

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile (CID 84769845) is 2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile is N#CCc1c(O)ccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile?
The InChIKey is IPTSLAKKCCPSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNO/c9-6-1-2-7(12)5(3-4-11)8(6)10/h1-2,12H,3H2.
What are the key properties of 2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile?
2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile has a molecular weight of 185.58 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 84769845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).