3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol

C14H12BrNO3 — CID 67383166

IUPAC3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol
SMILESCOc1ccc2c(c1)C(C)(O)c1cc(Br)cnc1O2
InChIInChI=1S/C14H12BrNO3/c1-14(17)10-6-9(18-2)3-4-12(10)19-13-11(14)5-8(15)7-16-13/h3-7,17H,1-2H3
InChIKeyVSIHDOIBKXYORA-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.21
Rot. Bonds1

About 3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol

3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol (PubChem CID 67383166) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol.

Molecular Properties

Compound Name3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol
PubChem CID67383166
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol
SMILESCOc1ccc2c(c1)C(C)(O)c1cc(Br)cnc1O2
InChIInChI=1S/C14H12BrNO3/c1-14(17)10-6-9(18-2)3-4-12(10)19-13-11(14)5-8(15)7-16-13/h3-7,17H,1-2H3
InChIKeyVSIHDOIBKXYORA-UHFFFAOYSA-N
XLogP3.21
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-7-methoxyquinoline
CID 18788548
(3-bromo-4',4'-difluoro-5'-oxospiro[chromeno[2,3-b]pyridine-5,2'-pyrrolidine]-7-yl) trifluoromethanesulfonate
CID 87379617
(3S)-2'-bromo-7'-methoxyspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine
CID 141263164
2-amino-7'-bromospiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol;2'-bromo-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine;tribromoborane
CID 158686493
2-bromo-5-methoxy-1,3-benzoxazole
CID 83382782
6-bromo-2-(4-methoxyphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-ol
CID 5304063
3-bromo-6-[(4-methoxyphenyl)methyl]-5,5-dimethylpyrrolo[3,4-b]pyridin-7-one
CID 167350481
(4S)-3'-bromo-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]
CID 67382943
2,6-dibromo-9,10-dimethylanthracene-9,10-diol
CID 59766462
5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]
CID 14070048
5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 103583292
(4S)-2-(3,5-dibromo-2-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946759

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol?
The IUPAC name of 3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol (CID 67383166) is 3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol.
What is the SMILES notation for 3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol?
The canonical SMILES for 3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol is COc1ccc2c(c1)C(C)(O)c1cc(Br)cnc1O2.
What is the InChIKey of 3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol?
The InChIKey is VSIHDOIBKXYORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-14(17)10-6-9(18-2)3-4-12(10)19-13-11(14)5-8(15)7-16-13/h3-7,17H,1-2H3.
What are the key properties of 3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol?
3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol has a molecular weight of 322.16 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol is sourced from PubChem (CID 67383166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).