5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine

C8H6BrClN4 — CID 79073131

IUPAC5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine
SMILESCc1ccn(-c2nc(Cl)ncc2Br)n1
InChIInChI=1S/C8H6BrClN4/c1-5-2-3-14(13-5)7-6(9)4-11-8(10)12-7/h2-4H,1H3
InChIKeyMBBPSZSNZSJTMP-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.39
Rot. Bonds1

About 5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine

5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine (PubChem CID 79073131) has the molecular formula C8H6BrClN4 and a molecular weight of 273.52 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine
PubChem CID79073131
Molecular FormulaC8H6BrClN4
Molecular Weight273.52 g/mol
Exact Mass271.95
IUPAC Name5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine
SMILESCc1ccn(-c2nc(Cl)ncc2Br)n1
InChIInChI=1S/C8H6BrClN4/c1-5-2-3-14(13-5)7-6(9)4-11-8(10)12-7/h2-4H,1H3
InChIKeyMBBPSZSNZSJTMP-UHFFFAOYSA-N
XLogP2.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine (CID 79073131) is 5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine is Cc1ccn(-c2nc(Cl)ncc2Br)n1.
What is the InChIKey of 5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine?
The InChIKey is MBBPSZSNZSJTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4/c1-5-2-3-14(13-5)7-6(9)4-11-8(10)12-7/h2-4H,1H3.
What are the key properties of 5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine?
5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine has a molecular weight of 273.52 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 79073131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).