2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one

C14H7BrClNO3 — CID 129139347

IUPAC2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one
SMILESO=c1c(O)c(-c2ccc(Br)cc2)oc2cncc(Cl)c12
InChIInChI=1S/C14H7BrClNO3/c15-8-3-1-7(2-4-8)14-13(19)12(18)11-9(16)5-17-6-10(11)20-14/h1-6,19H
InChIKeyRCTGZIXIWCMALJ-UHFFFAOYSA-N
MW352.57 g/mol
LogP3.98
Rot. Bonds1

About 2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one

2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one (PubChem CID 129139347) has the molecular formula C14H7BrClNO3 and a molecular weight of 352.57 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one
PubChem CID129139347
Molecular FormulaC14H7BrClNO3
Molecular Weight352.57 g/mol
Exact Mass350.93
IUPAC Name2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one
SMILESO=c1c(O)c(-c2ccc(Br)cc2)oc2cncc(Cl)c12
InChIInChI=1S/C14H7BrClNO3/c15-8-3-1-7(2-4-8)14-13(19)12(18)11-9(16)5-17-6-10(11)20-14/h1-6,19H
InChIKeyRCTGZIXIWCMALJ-UHFFFAOYSA-N
XLogP3.98
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 162675191
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
2-(4-bromophenyl)-3-hydroxy-6-methylpyran-4-one
CID 150681279
2-(4-bromophenyl)-3-hydroxy-7-(methoxymethoxy)chromen-4-one
CID 163381475
7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one
CID 70417264
3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
CID 157253645
7-chloro-3-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one
CID 129138636
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
CID 10453329
8-bromo-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 56617277
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzoic acid
CID 86205753

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one?
The IUPAC name of 2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one (CID 129139347) is 2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one is O=c1c(O)c(-c2ccc(Br)cc2)oc2cncc(Cl)c12.
What is the InChIKey of 2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one?
The InChIKey is RCTGZIXIWCMALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClNO3/c15-8-3-1-7(2-4-8)14-13(19)12(18)11-9(16)5-17-6-10(11)20-14/h1-6,19H.
What are the key properties of 2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one?
2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one has a molecular weight of 352.57 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-chloro-3-hydroxypyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 129139347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).