2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine

C11H6BrCl2FN2O — CID 80550488

IUPAC2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
SMILESCOc1ccc(Br)cc1-c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C11H6BrCl2FN2O/c1-18-7-3-2-5(12)4-6(7)11-16-9(13)8(15)10(14)17-11/h2-4H,1H3
InChIKeyJJYBLZLKDWNZSU-UHFFFAOYSA-N
MW351.99 g/mol
LogP4.36
Rot. Bonds2

About 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine

2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine (PubChem CID 80550488) has the molecular formula C11H6BrCl2FN2O and a molecular weight of 351.99 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
PubChem CID80550488
Molecular FormulaC11H6BrCl2FN2O
Molecular Weight351.99 g/mol
Exact Mass349.90
IUPAC Name2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
SMILESCOc1ccc(Br)cc1-c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C11H6BrCl2FN2O/c1-18-7-3-2-5(12)4-6(7)11-16-9(13)8(15)10(14)17-11/h2-4H,1H3
InChIKeyJJYBLZLKDWNZSU-UHFFFAOYSA-N
XLogP4.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.99
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612519
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine
CID 63613498
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine
CID 66312881
4,6-dichloro-5-fluoro-2-(2,3,4-trimethoxyphenyl)pyrimidine
CID 80550935
3-(5-bromo-2-methoxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 82489906
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine
CID 24946892
3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole
CID 82489434
7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline
CID 114590509
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
CID 66313822
3-(5-bromo-2-methoxyphenyl)-5-propan-2-yl-1H-1,2,4-triazole
CID 82490051

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine (CID 80550488) is 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine is COc1ccc(Br)cc1-c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine?
The InChIKey is JJYBLZLKDWNZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2FN2O/c1-18-7-3-2-5(12)4-6(7)11-16-9(13)8(15)10(14)17-11/h2-4H,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine?
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine has a molecular weight of 351.99 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine is sourced from PubChem (CID 80550488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).