3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine

C12H10BrClFN3O2 — CID 172606393

IUPAC3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine
SMILESCOc1cc(Cl)c(-c2nc(N)c(Br)nc2F)cc1OC
InChIInChI=1S/C12H10BrClFN3O2/c1-19-7-3-5(6(14)4-8(7)20-2)9-11(15)18-10(13)12(16)17-9/h3-4H,1-2H3,(H2,16,17)
InChIKeyMSORWACXXJATIC-UHFFFAOYSA-N
MW362.59 g/mol
LogP3.30
Rot. Bonds3

About 3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine

3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine (PubChem CID 172606393) has the molecular formula C12H10BrClFN3O2 and a molecular weight of 362.59 g/mol. Its IUPAC name is 3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine
PubChem CID172606393
Molecular FormulaC12H10BrClFN3O2
Molecular Weight362.59 g/mol
Exact Mass360.96
IUPAC Name3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine
SMILESCOc1cc(Cl)c(-c2nc(N)c(Br)nc2F)cc1OC
InChIInChI=1S/C12H10BrClFN3O2/c1-19-7-3-5(6(14)4-8(7)20-2)9-11(15)18-10(13)12(16)17-9/h3-4H,1-2H3,(H2,16,17)
InChIKeyMSORWACXXJATIC-UHFFFAOYSA-N
XLogP3.30
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.59
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-6,7-dimethoxyquinoxalin-2-amine
CID 133060724
5-bromo-6-fluoro-3-methoxypyridin-2-amine
CID 135201063
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-chloro-2,3-difluoro-6-methoxyaniline
CID 170781389
5-bromo-4-chloro-2-methoxyaniline
CID 75537158
3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine
CID 112559128
3,5-dichloro-6-(2,6-dimethoxyphenyl)pyridin-2-amine
CID 102753973
4-chloro-6,7-dimethoxyquinolin-2-amine
CID 141028770
4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
CID 118162049
[2-(2-chloro-4,5-difluorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 107476915
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
CID 86000885

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine?
The IUPAC name of 3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine (CID 172606393) is 3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine.
What is the SMILES notation for 3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine?
The canonical SMILES for 3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine is COc1cc(Cl)c(-c2nc(N)c(Br)nc2F)cc1OC.
What is the InChIKey of 3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine?
The InChIKey is MSORWACXXJATIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O2/c1-19-7-3-5(6(14)4-8(7)20-2)9-11(15)18-10(13)12(16)17-9/h3-4H,1-2H3,(H2,16,17).
What are the key properties of 3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine?
3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine has a molecular weight of 362.59 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2-chloro-4,5-dimethoxyphenyl)-5-fluoropyrazin-2-amine is sourced from PubChem (CID 172606393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).