(3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate

C13H7BrCl2FN3O2 — CID 146264648

IUPAC(3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(F)c(Cl)c2c1[nH]c1ncc(Br)c(Cl)c12
InChIInChI=1S/C13H7BrCl2FN3O2/c1-18-13(21)22-6-2-5(17)10(16)7-8-9(15)4(14)3-19-12(8)20-11(6)7/h2-3H,1H3,(H,18,21)(H,19,20)
InChIKeyKYNVDODWPAECOS-UHFFFAOYSA-N
MW407.03 g/mol
LogP4.64
Rot. Bonds1

About (3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate

(3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate (PubChem CID 146264648) has the molecular formula C13H7BrCl2FN3O2 and a molecular weight of 407.03 g/mol. Its IUPAC name is (3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate.

Molecular Properties

Compound Name(3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
PubChem CID146264648
Molecular FormulaC13H7BrCl2FN3O2
Molecular Weight407.03 g/mol
Exact Mass404.91
IUPAC Name(3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(F)c(Cl)c2c1[nH]c1ncc(Br)c(Cl)c12
InChIInChI=1S/C13H7BrCl2FN3O2/c1-18-13(21)22-6-2-5(17)10(16)7-8-9(15)4(14)3-19-12(8)20-11(6)7/h2-3H,1H3,(H,18,21)(H,19,20)
InChIKeyKYNVDODWPAECOS-UHFFFAOYSA-N
XLogP4.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.03
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
CID 135346393
(3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
CID 135346331
(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate
CID 164648951
methyl N-(3,4-dichloro-5,6-difluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate
CID 175121318
(3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid
CID 135346765
(2-bromo-3,4-difluorophenyl) N-methylcarbamate
CID 91799161
(2,3,5,6-tetrafluorophenyl) N-methylcarbamate
CID 155696614
4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide
CID 172556692
tert-butyl N-[3-chloro-4-(dimethylamino)-5,6-difluoro-9H-pyrido[2,3-b]indol-8-yl]-N-methylcarbamate
CID 135346539
methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453
(5-bromo-2-chloro-4-fluorophenyl) methyl carbonate
CID 54379718
(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride
CID 172729732

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate?
The IUPAC name of (3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate (CID 146264648) is (3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate.
What is the SMILES notation for (3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate?
The canonical SMILES for (3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate is CNC(=O)Oc1cc(F)c(Cl)c2c1[nH]c1ncc(Br)c(Cl)c12.
What is the InChIKey of (3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate?
The InChIKey is KYNVDODWPAECOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FN3O2/c1-18-13(21)22-6-2-5(17)10(16)7-8-9(15)4(14)3-19-12(8)20-11(6)7/h2-3H,1H3,(H,18,21)(H,19,20).
What are the key properties of (3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate?
(3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate has a molecular weight of 407.03 g/mol, XLogP of 4.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate is sourced from PubChem (CID 146264648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).