2-fluoro-3-hydroxybenzonitrile;2-iodopropane

C10H11FINO — CID 160539344

IUPAC2-fluoro-3-hydroxybenzonitrile;2-iodopropane
SMILESCC(C)I.N#Cc1cccc(O)c1F
InChIInChI=1S/C7H4FNO.C3H7I/c8-7-5(4-9)2-1-3-6(7)10;1-3(2)4/h1-3,10H;3H,1-2H3
InChIKeyQWONZMVQGLSYNH-UHFFFAOYSA-N
MW307.11 g/mol
LogP3.23
Rot. Bonds

About 2-fluoro-3-hydroxybenzonitrile;2-iodopropane

2-fluoro-3-hydroxybenzonitrile;2-iodopropane (PubChem CID 160539344) has the molecular formula C10H11FINO and a molecular weight of 307.11 g/mol. Its IUPAC name is 2-fluoro-3-hydroxybenzonitrile;2-iodopropane.

Molecular Properties

Compound Name2-fluoro-3-hydroxybenzonitrile;2-iodopropane
PubChem CID160539344
Molecular FormulaC10H11FINO
Molecular Weight307.11 g/mol
Exact Mass306.99
IUPAC Name2-fluoro-3-hydroxybenzonitrile;2-iodopropane
SMILESCC(C)I.N#Cc1cccc(O)c1F
InChIInChI=1S/C7H4FNO.C3H7I/c8-7-5(4-9)2-1-3-6(7)10;1-3(2)4/h1-3,10H;3H,1-2H3
InChIKeyQWONZMVQGLSYNH-UHFFFAOYSA-N
XLogP3.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1S)-1-aminoethyl]-2-fluorobenzonitrile;hydrochloride
CID 168966472
2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 113350332
2-fluoro-4-hydroxy-3-iodobenzonitrile
CID 66988798
2-fluoro-4-hydroxy-3-methylsulfanylbenzonitrile
CID 117279402
3-[(1S)-1-amino-2-hydroxyethyl]-2-fluorobenzonitrile
CID 130884198
methyl 3-cyano-2-fluorobenzoate
CID 91882344
2-fluoro-3-propan-2-ylphenol
CID 71302551
3-(3,3-dimethylbut-1-ynyl)-2-fluorobenzonitrile
CID 170352587
3-fluoro-4-hydroxy-2-methoxybenzonitrile
CID 117276441
3-[(butan-2-ylamino)methyl]-2-fluorobenzonitrile
CID 107114325
3-(1-aminopropan-2-ylsulfanylmethyl)-2-fluorobenzonitrile
CID 107118287
2-fluoro-3-[(2-methylpropoxyamino)methyl]benzonitrile
CID 107114750

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxybenzonitrile;2-iodopropane?
The IUPAC name of 2-fluoro-3-hydroxybenzonitrile;2-iodopropane (CID 160539344) is 2-fluoro-3-hydroxybenzonitrile;2-iodopropane.
What is the SMILES notation for 2-fluoro-3-hydroxybenzonitrile;2-iodopropane?
The canonical SMILES for 2-fluoro-3-hydroxybenzonitrile;2-iodopropane is CC(C)I.N#Cc1cccc(O)c1F.
What is the InChIKey of 2-fluoro-3-hydroxybenzonitrile;2-iodopropane?
The InChIKey is QWONZMVQGLSYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO.C3H7I/c8-7-5(4-9)2-1-3-6(7)10;1-3(2)4/h1-3,10H;3H,1-2H3.
What are the key properties of 2-fluoro-3-hydroxybenzonitrile;2-iodopropane?
2-fluoro-3-hydroxybenzonitrile;2-iodopropane has a molecular weight of 307.11 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxybenzonitrile;2-iodopropane is sourced from PubChem (CID 160539344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).