5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine

C11H7BrCl2N2O — CID 79075950

IUPAC5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine
SMILESClc1cccc(COc2nc(Cl)ncc2Br)c1
InChIInChI=1S/C11H7BrCl2N2O/c12-9-5-15-11(14)16-10(9)17-6-7-2-1-3-8(13)4-7/h1-5H,6H2
InChIKeyWNYHVDCLKFZRQF-UHFFFAOYSA-N
MW334.00 g/mol
LogP4.12
Rot. Bonds3

About 5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine

5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine (PubChem CID 79075950) has the molecular formula C11H7BrCl2N2O and a molecular weight of 334.00 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine
PubChem CID79075950
Molecular FormulaC11H7BrCl2N2O
Molecular Weight334.00 g/mol
Exact Mass331.91
IUPAC Name5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine
SMILESClc1cccc(COc2nc(Cl)ncc2Br)c1
InChIInChI=1S/C11H7BrCl2N2O/c12-9-5-15-11(14)16-10(9)17-6-7-2-1-3-8(13)4-7/h1-5H,6H2
InChIKeyWNYHVDCLKFZRQF-UHFFFAOYSA-N
XLogP4.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.00
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 114044146
3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole
CID 65125047
5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556
2-[(3-chlorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66279132
6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine
CID 114073469
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125681
4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine
CID 80876322
2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 65127178
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine
CID 65124564
3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
CID 4770151
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 65125438

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine (CID 79075950) is 5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine is Clc1cccc(COc2nc(Cl)ncc2Br)c1.
What is the InChIKey of 5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine?
The InChIKey is WNYHVDCLKFZRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2O/c12-9-5-15-11(14)16-10(9)17-6-7-2-1-3-8(13)4-7/h1-5H,6H2.
What are the key properties of 5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine?
5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine has a molecular weight of 334.00 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine is sourced from PubChem (CID 79075950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).