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

C13H8BrClFN3O2 — CID 135346393

IUPAC(5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(F)c(Br)c2c1[nH]c1ncc(Cl)cc12
InChIInChI=1S/C13H8BrClFN3O2/c1-17-13(20)21-8-3-7(16)10(14)9-6-2-5(15)4-18-12(6)19-11(8)9/h2-4H,1H3,(H,17,20)(H,18,19)
InChIKeyYKRREWBMNNFVCS-UHFFFAOYSA-N
MW372.58 g/mol
LogP3.99
Rot. Bonds1

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

(5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate (PubChem CID 135346393) has the molecular formula C13H8BrClFN3O2 and a molecular weight of 372.58 g/mol. Its IUPAC name is (5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate.

Molecular Properties

Compound Name(5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
PubChem CID135346393
Molecular FormulaC13H8BrClFN3O2
Molecular Weight372.58 g/mol
Exact Mass370.95
IUPAC Name(5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(F)c(Br)c2c1[nH]c1ncc(Cl)cc12
InChIInChI=1S/C13H8BrClFN3O2/c1-17-13(20)21-8-3-7(16)10(14)9-6-2-5(15)4-18-12(6)19-11(8)9/h2-4H,1H3,(H,17,20)(H,18,19)
InChIKeyYKRREWBMNNFVCS-UHFFFAOYSA-N
XLogP3.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-bromo-3-chloro-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

(3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
CID 135346331
(3-bromo-4,5-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
CID 146264648
(2-bromo-3,4-difluorophenyl) N-methylcarbamate
CID 91799161
(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate
CID 164648951
(3-bromo-4,6-dichloro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid
CID 135346765
(2,3,5,6-tetrafluorophenyl) N-methylcarbamate
CID 155696614
methyl N-(3,4-dichloro-5,6-difluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate
CID 175121318
5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 177188064
8-butoxy-3-chloro-5-(3-ethylsulfinylphenyl)-9H-pyrido[2,3-b]indole;ethane
CID 143657032
methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate
CID 79734650
(3-chloropyrazin-2-yl) N-methylcarbamate
CID 155230381
(4-fluoro-1H-indol-5-yl) N-methylcarbamate
CID 175335995

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate?
The IUPAC name of (5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate (CID 135346393) is (5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate.
What is the SMILES notation for (5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate?
The canonical SMILES for (5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate is CNC(=O)Oc1cc(F)c(Br)c2c1[nH]c1ncc(Cl)cc12.
What is the InChIKey of (5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate?
The InChIKey is YKRREWBMNNFVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFN3O2/c1-17-13(20)21-8-3-7(16)10(14)9-6-2-5(15)4-18-12(6)19-11(8)9/h2-4H,1H3,(H,17,20)(H,18,19).
What are the key properties of (5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate?
(5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate has a molecular weight of 372.58 g/mol, XLogP of 3.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate is sourced from PubChem (CID 135346393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).