5-bromo-2-chloro-4-ethynylpyrimidine

C6H2BrClN2 — CID 140917314

IUPAC5-bromo-2-chloro-4-ethynylpyrimidine
SMILESC#Cc1nc(Cl)ncc1Br
InChIInChI=1S/C6H2BrClN2/c1-2-5-4(7)3-9-6(8)10-5/h1,3H
InChIKeyWDVPVLTYWLXNLU-UHFFFAOYSA-N
MW217.45 g/mol
LogP1.87
Rot. Bonds

About 5-bromo-2-chloro-4-ethynylpyrimidine

5-bromo-2-chloro-4-ethynylpyrimidine (PubChem CID 140917314) has the molecular formula C6H2BrClN2 and a molecular weight of 217.45 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-ethynylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-ethynylpyrimidine
PubChem CID140917314
Molecular FormulaC6H2BrClN2
Molecular Weight217.45 g/mol
Exact Mass215.91
IUPAC Name5-bromo-2-chloro-4-ethynylpyrimidine
SMILESC#Cc1nc(Cl)ncc1Br
InChIInChI=1S/C6H2BrClN2/c1-2-5-4(7)3-9-6(8)10-5/h1,3H
InChIKeyWDVPVLTYWLXNLU-UHFFFAOYSA-N
XLogP1.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.45
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine
CID 143899539
5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine
CID 159405542
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192330
5-bromo-2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine
CID 79072431
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol
CID 79076426
2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine
CID 57428873
5-bromo-2-chloropyrido[3,4-d]pyrimidine
CID 135392162
7-bromo-2,6-dichloroquinazoline
CID 131750244
4-(5-bromo-2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 118142117
5-bromo-2-chloro-4-pentylpyrimidine
CID 174599025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-ethynylpyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-ethynylpyrimidine (CID 140917314) is 5-bromo-2-chloro-4-ethynylpyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-ethynylpyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-ethynylpyrimidine is C#Cc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-ethynylpyrimidine?
The InChIKey is WDVPVLTYWLXNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClN2/c1-2-5-4(7)3-9-6(8)10-5/h1,3H.
What are the key properties of 5-bromo-2-chloro-4-ethynylpyrimidine?
5-bromo-2-chloro-4-ethynylpyrimidine has a molecular weight of 217.45 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-ethynylpyrimidine is sourced from PubChem (CID 140917314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).