4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile

C22H15FN2O3 — CID 175856874

IUPAC4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile
SMILESN#Cc1ccc([C@@H](Oc2ccc3c(c2)OCCC3=O)c2ccncc2F)cc1
InChIInChI=1S/C22H15FN2O3/c23-19-13-25-9-7-17(19)22(15-3-1-14(12-24)2-4-15)28-16-5-6-18-20(26)8-10-27-21(18)11-16/h1-7,9,11,13,22H,8,10H2/t22-/m1/s1
InChIKeyQDERUNMSMBVVHI-JOCHJYFZSA-N
MW374.37 g/mol
LogP4.23
Rot. Bonds4

About 4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile

4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile (PubChem CID 175856874) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile.

Molecular Properties

Compound Name4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile
PubChem CID175856874
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile
SMILESN#Cc1ccc([C@@H](Oc2ccc3c(c2)OCCC3=O)c2ccncc2F)cc1
InChIInChI=1S/C22H15FN2O3/c23-19-13-25-9-7-17(19)22(15-3-1-14(12-24)2-4-15)28-16-5-6-18-20(26)8-10-27-21(18)11-16/h1-7,9,11,13,22H,8,10H2/t22-/m1/s1
InChIKeyQDERUNMSMBVVHI-JOCHJYFZSA-N
XLogP4.23
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile with MolForge

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Related Compounds

4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 175856798
7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
CID 156870805
4-[(R)-(4-oxo-6-phenyl-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 175856879
4-[[2-(benzhydrylideneamino)-4-pyridinyl]-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile
CID 168740789
7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
CID 156870991
4-[(R)-(4-oxo-8-propan-2-yl-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 175856887
4-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 156871187
4-[[2-[(4-oxo-6-propan-2-yl-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile
CID 156871188
6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one
CID 156871515
(4-oxo-2,3-dihydrochromen-7-yl) acetate
CID 3498336
6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile
CID 55271494
1-[(4-cyanophenyl)methyl]-3-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]urea
CID 124842395

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile?
The IUPAC name of 4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile (CID 175856874) is 4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile.
What is the SMILES notation for 4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile?
The canonical SMILES for 4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile is N#Cc1ccc([C@@H](Oc2ccc3c(c2)OCCC3=O)c2ccncc2F)cc1.
What is the InChIKey of 4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile?
The InChIKey is QDERUNMSMBVVHI-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H15FN2O3/c23-19-13-25-9-7-17(19)22(15-3-1-14(12-24)2-4-15)28-16-5-6-18-20(26)8-10-27-21(18)11-16/h1-7,9,11,13,22H,8,10H2/t22-/m1/s1.
What are the key properties of 4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile?
4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile has a molecular weight of 374.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile is sourced from PubChem (CID 175856874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).