6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one

C15H10ClNO3 — CID 54672033

IUPAC6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one
SMILESO=c1c(C(O)c2ccccn2)coc2ccc(Cl)cc12
InChIInChI=1S/C15H10ClNO3/c16-9-4-5-13-10(7-9)14(18)11(8-20-13)15(19)12-3-1-2-6-17-12/h1-8,15,19H
InChIKeyCSAIFWAFLJIXFR-UHFFFAOYSA-N
MW287.70 g/mol
LogP2.92
Rot. Bonds2

About 6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one

6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one (PubChem CID 54672033) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one
PubChem CID54672033
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one
SMILESO=c1c(C(O)c2ccccn2)coc2ccc(Cl)cc12
InChIInChI=1S/C15H10ClNO3/c16-9-4-5-13-10(7-9)14(18)11(8-20-13)15(19)12-3-1-2-6-17-12/h1-8,15,19H
InChIKeyCSAIFWAFLJIXFR-UHFFFAOYSA-N
XLogP2.92
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol
CID 146508713
3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one
CID 102296183
6-chloro-3-[dimethoxyphosphoryl(hydroxy)methyl]chromen-4-one
CID 10870873
3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one
CID 101244744
phenanthren-9-yl(pyridin-2-yl)methanol
CID 178201671
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(S)-(2-ethylphenyl)-pyridin-2-ylmethanol
CID 97292894
(2,3-dichlorophenyl)-pyridin-2-ylmethanol
CID 62791139
(R)-(2-ethylphenyl)-pyridin-2-ylmethanol
CID 97292895
2-[amino(pyridin-2-yl)methyl]-4-chlorophenol
CID 22299694
3-[hydroxy-(2-nitrophenyl)methyl]-6-methylchromen-4-one
CID 11197695
[2-(4-chlorophenyl)-8-methylquinolin-4-yl]-pyridin-2-ylmethanol
CID 572832

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one?
The IUPAC name of 6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one (CID 54672033) is 6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one.
What is the SMILES notation for 6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one?
The canonical SMILES for 6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one is O=c1c(C(O)c2ccccn2)coc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one?
The InChIKey is CSAIFWAFLJIXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-9-4-5-13-10(7-9)14(18)11(8-20-13)15(19)12-3-1-2-6-17-12/h1-8,15,19H.
What are the key properties of 6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one?
6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one has a molecular weight of 287.70 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one is sourced from PubChem (CID 54672033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).