(5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone

C20H14BrNO3 — CID 1216259

IUPAC(5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone
SMILESCc1ccc2c(c1)-c1ncc(C(=O)c3cc(Br)ccc3O)cc1CO2
InChIInChI=1S/C20H14BrNO3/c1-11-2-5-18-16(6-11)19-13(10-25-18)7-12(9-22-19)20(24)15-8-14(21)3-4-17(15)23/h2-9,23H,10H2,1H3
InChIKeyCLKAFWBGKNKIEZ-UHFFFAOYSA-N
MW396.24 g/mol
LogP4.65
Rot. Bonds2

About (5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone

(5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone (PubChem CID 1216259) has the molecular formula C20H14BrNO3 and a molecular weight of 396.24 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone
PubChem CID1216259
Molecular FormulaC20H14BrNO3
Molecular Weight396.24 g/mol
Exact Mass395.02
IUPAC Name(5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone
SMILESCc1ccc2c(c1)-c1ncc(C(=O)c3cc(Br)ccc3O)cc1CO2
InChIInChI=1S/C20H14BrNO3/c1-11-2-5-18-16(6-11)19-13(10-25-18)7-12(9-22-19)20(24)15-8-14(21)3-4-17(15)23/h2-9,23H,10H2,1H3
InChIKeyCLKAFWBGKNKIEZ-UHFFFAOYSA-N
XLogP4.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone (CID 1216259) is (5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone is Cc1ccc2c(c1)-c1ncc(C(=O)c3cc(Br)ccc3O)cc1CO2.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone?
The InChIKey is CLKAFWBGKNKIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO3/c1-11-2-5-18-16(6-11)19-13(10-25-18)7-12(9-22-19)20(24)15-8-14(21)3-4-17(15)23/h2-9,23H,10H2,1H3.
What are the key properties of (5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone?
(5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone has a molecular weight of 396.24 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 1216259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).