3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one

C15H11NO3 — CID 101244744

IUPAC3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one
SMILESO=c1c(C(O)c2ccncc2)coc2ccccc12
InChIInChI=1S/C15H11NO3/c17-14(10-5-7-16-8-6-10)12-9-19-13-4-2-1-3-11(13)15(12)18/h1-9,14,17H
InChIKeySEDNTHWQNRTBSD-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.27
Rot. Bonds2

About 3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one

3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one (PubChem CID 101244744) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one.

Molecular Properties

Compound Name3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one
PubChem CID101244744
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one
SMILESO=c1c(C(O)c2ccncc2)coc2ccccc12
InChIInChI=1S/C15H11NO3/c17-14(10-5-7-16-8-6-10)12-9-19-13-4-2-1-3-11(13)15(12)18/h1-9,14,17H
InChIKeySEDNTHWQNRTBSD-UHFFFAOYSA-N
XLogP2.27
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one
CID 102296183
3-[(5-bromo-2-nitrophenyl)-hydroxymethyl]chromen-4-one
CID 101381623
(R)-1-benzofuran-3-yl(thiophen-3-yl)methanol
CID 155933737
2-[hydroxy(pyridin-4-yl)methyl]phenol
CID 14937590
6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one
CID 54672033
4-[2-(1-benzofuran-3-yl)-2-bromoethyl]pyridine
CID 66454194
benzene;3-hydroxychromen-4-one
CID 175480795
4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile
CID 11544414
3-[(pyridin-4-ylmethyldiazenyl)methyl]chromen-4-one
CID 90976504
3-[azido(phenyl)methyl]chromen-4-one
CID 11380383
methyl 2-(4-fluorophenyl)-2-(4-oxochromen-3-yl)acetate
CID 154714068
(S)-(2-fluorophenyl)-pyridin-4-ylmethanol
CID 166771520

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one?
The IUPAC name of 3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one (CID 101244744) is 3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one.
What is the SMILES notation for 3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one?
The canonical SMILES for 3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one is O=c1c(C(O)c2ccncc2)coc2ccccc12.
What is the InChIKey of 3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one?
The InChIKey is SEDNTHWQNRTBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-14(10-5-7-16-8-6-10)12-9-19-13-4-2-1-3-11(13)15(12)18/h1-9,14,17H.
What are the key properties of 3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one?
3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one has a molecular weight of 253.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one is sourced from PubChem (CID 101244744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).