(3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid

C13H8BrCl2N3O2 — CID 135346765

IUPAC(3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(Cl)cc2c1[nH]c1ncc(Br)c(Cl)c12
InChIInChI=1S/C13H8BrCl2N3O2/c1-19(13(20)21)8-3-5(15)2-6-9-10(16)7(14)4-17-12(9)18-11(6)8/h2-4H,1H3,(H,17,18)(H,20,21)
InChIKeyWIEUGBRDQROXJG-UHFFFAOYSA-N
MW389.04 g/mol
LogP4.90
Rot. Bonds1

About (3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid

(3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid (PubChem CID 135346765) has the molecular formula C13H8BrCl2N3O2 and a molecular weight of 389.04 g/mol. Its IUPAC name is (3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid
PubChem CID135346765
Molecular FormulaC13H8BrCl2N3O2
Molecular Weight389.04 g/mol
Exact Mass386.92
IUPAC Name(3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(Cl)cc2c1[nH]c1ncc(Br)c(Cl)c12
InChIInChI=1S/C13H8BrCl2N3O2/c1-19(13(20)21)8-3-5(15)2-6-9-10(16)7(14)4-17-12(9)18-11(6)8/h2-4H,1H3,(H,17,18)(H,20,21)
InChIKeyWIEUGBRDQROXJG-UHFFFAOYSA-N
XLogP4.90
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.04
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid?
The IUPAC name of (3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid (CID 135346765) is (3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid.
What is the SMILES notation for (3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid?
The canonical SMILES for (3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid is CN(C(=O)O)c1cc(Cl)cc2c1[nH]c1ncc(Br)c(Cl)c12.
What is the InChIKey of (3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid?
The InChIKey is WIEUGBRDQROXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2N3O2/c1-19(13(20)21)8-3-5(15)2-6-9-10(16)7(14)4-17-12(9)18-11(6)8/h2-4H,1H3,(H,17,18)(H,20,21).
What are the key properties of (3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid?
(3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid has a molecular weight of 389.04 g/mol, XLogP of 4.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid is sourced from PubChem (CID 135346765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).