6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole

C10H4BrClFN3 — CID 166762165

IUPAC6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole
SMILESFc1cc2[nH]c3ncnc(Cl)c3c2cc1Br
InChIInChI=1S/C10H4BrClFN3/c11-5-1-4-7(2-6(5)13)16-10-8(4)9(12)14-3-15-10/h1-3H,(H,14,15,16)
InChIKeyWEKIQEUBBATHCQ-UHFFFAOYSA-N
MW300.52 g/mol
LogP3.67
Rot. Bonds

About 6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole

6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole (PubChem CID 166762165) has the molecular formula C10H4BrClFN3 and a molecular weight of 300.52 g/mol. Its IUPAC name is 6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole.

Molecular Properties

Compound Name6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole
PubChem CID166762165
Molecular FormulaC10H4BrClFN3
Molecular Weight300.52 g/mol
Exact Mass298.93
IUPAC Name6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole
SMILESFc1cc2[nH]c3ncnc(Cl)c3c2cc1Br
InChIInChI=1S/C10H4BrClFN3/c11-5-1-4-7(2-6(5)13)16-10-8(4)9(12)14-3-15-10/h1-3H,(H,14,15,16)
InChIKeyWEKIQEUBBATHCQ-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine
CID 156876979
2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile
CID 156877023
4-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 118340553
4-bromo-N-[2-(4,6-dichloropyrimidin-5-yl)ethyl]-2,5-difluoroaniline
CID 86637396
6-bromo-7-fluoro-2-sulfanylidene-1H-quinazolin-4-one
CID 114589044
6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
CID 114759586
6-bromo-3-chloro-5-fluoro-2-methyl-1H-quinolin-4-one;6-bromo-3-chloro-7-fluoro-2-methyl-1H-quinolin-4-one
CID 158216445
5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde
CID 83901191
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 79631134
5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole
CID 79631505
5-(4-bromophenyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
CID 139222824
N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 102854565

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole?
The IUPAC name of 6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole (CID 166762165) is 6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole.
What is the SMILES notation for 6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole?
The canonical SMILES for 6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole is Fc1cc2[nH]c3ncnc(Cl)c3c2cc1Br.
What is the InChIKey of 6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole?
The InChIKey is WEKIQEUBBATHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClFN3/c11-5-1-4-7(2-6(5)13)16-10-8(4)9(12)14-3-15-10/h1-3H,(H,14,15,16).
What are the key properties of 6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole?
6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole has a molecular weight of 300.52 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-7-fluoro-9H-pyrimido[4,5-b]indole is sourced from PubChem (CID 166762165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).