(6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol

C13H11BrN2O — CID 19439817

IUPAC(6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol
SMILESCn1c2ccc(Br)cc2c2ccc(CO)nc21
InChIInChI=1S/C13H11BrN2O/c1-16-12-5-2-8(14)6-11(12)10-4-3-9(7-17)15-13(10)16/h2-6,17H,7H2,1H3
InChIKeyPXVNNNLBOGIJJL-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.98
Rot. Bonds1

About (6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol

(6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol (PubChem CID 19439817) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is (6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol.

Molecular Properties

Compound Name(6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol
PubChem CID19439817
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name(6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol
SMILESCn1c2ccc(Br)cc2c2ccc(CO)nc21
InChIInChI=1S/C13H11BrN2O/c1-16-12-5-2-8(14)6-11(12)10-4-3-9(7-17)15-13(10)16/h2-6,17H,7H2,1H3
InChIKeyPXVNNNLBOGIJJL-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol?
The IUPAC name of (6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol (CID 19439817) is (6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol.
What is the SMILES notation for (6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol?
The canonical SMILES for (6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol is Cn1c2ccc(Br)cc2c2ccc(CO)nc21.
What is the InChIKey of (6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol?
The InChIKey is PXVNNNLBOGIJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-16-12-5-2-8(14)6-11(12)10-4-3-9(7-17)15-13(10)16/h2-6,17H,7H2,1H3.
What are the key properties of (6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol?
(6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol has a molecular weight of 291.15 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol is sourced from PubChem (CID 19439817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).