2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile

C13H9FN2O — CID 156870865

IUPAC2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(O)c2ccncc2)cc1F
InChIInChI=1S/C13H9FN2O/c14-12-7-10(1-2-11(12)8-15)13(17)9-3-5-16-6-4-9/h1-7,13,17H
InChIKeySFUOPZNKVVKKCP-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.17
Rot. Bonds2

About 2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile

2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile (PubChem CID 156870865) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile
PubChem CID156870865
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(O)c2ccncc2)cc1F
InChIInChI=1S/C13H9FN2O/c14-12-7-10(1-2-11(12)8-15)13(17)9-3-5-16-6-4-9/h1-7,13,17H
InChIKeySFUOPZNKVVKKCP-UHFFFAOYSA-N
XLogP2.17
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-propan-2-ylbenzonitrile
CID 59836617
4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile
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3-(4-cyano-3-fluorophenyl)-2,3-dihydroxypropanoic acid
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2-fluoro-4-(1-hydroxybut-3-enyl)benzonitrile
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2-amino-2-(4-cyano-3-fluorophenyl)acetic acid
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4-[(3,3-dimethylcyclohexen-1-yl)-hydroxymethyl]-2-fluorobenzonitrile
CID 54760661
2-fluoro-4-[1-[[(2S)-1-hydroxypropan-2-yl]amino]ethyl]benzonitrile
CID 103930722
4-(1-bromo-2-oxopropyl)-2-fluorobenzonitrile
CID 131168219
4-(1-aminopropyl)-2-fluorobenzonitrile
CID 55283000
(4-methylphenyl)-pyridin-4-ylmethanol
CID 3383504
2-fluoro-4-[1-(3-hydroxypropylamino)ethyl]benzonitrile
CID 115914455
(S)-(2-fluorophenyl)-pyridin-4-ylmethanol
CID 166771520

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile (CID 156870865) is 2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile is N#Cc1ccc(C(O)c2ccncc2)cc1F.
What is the InChIKey of 2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile?
The InChIKey is SFUOPZNKVVKKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-12-7-10(1-2-11(12)8-15)13(17)9-3-5-16-6-4-9/h1-7,13,17H.
What are the key properties of 2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile?
2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile has a molecular weight of 228.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile is sourced from PubChem (CID 156870865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).