5-bromo-4-(1H-pyrrol-3-yl)pyrimidine

C8H6BrN3 — CID 96590664

IUPAC5-bromo-4-(1H-pyrrol-3-yl)pyrimidine
SMILESBrc1cncnc1-c1cc[nH]c1
InChIInChI=1S/C8H6BrN3/c9-7-4-11-5-12-8(7)6-1-2-10-3-6/h1-5,10H
InChIKeyHQEFFVPNUXRFDY-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.23
Rot. Bonds1

About 5-bromo-4-(1H-pyrrol-3-yl)pyrimidine

5-bromo-4-(1H-pyrrol-3-yl)pyrimidine (PubChem CID 96590664) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 5-bromo-4-(1H-pyrrol-3-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(1H-pyrrol-3-yl)pyrimidine
PubChem CID96590664
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name5-bromo-4-(1H-pyrrol-3-yl)pyrimidine
SMILESBrc1cncnc1-c1cc[nH]c1
InChIInChI=1S/C8H6BrN3/c9-7-4-11-5-12-8(7)6-1-2-10-3-6/h1-5,10H
InChIKeyHQEFFVPNUXRFDY-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1H-pyrrol-3-yl)pyrimidine?
The IUPAC name of 5-bromo-4-(1H-pyrrol-3-yl)pyrimidine (CID 96590664) is 5-bromo-4-(1H-pyrrol-3-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(1H-pyrrol-3-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-(1H-pyrrol-3-yl)pyrimidine is Brc1cncnc1-c1cc[nH]c1.
What is the InChIKey of 5-bromo-4-(1H-pyrrol-3-yl)pyrimidine?
The InChIKey is HQEFFVPNUXRFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-7-4-11-5-12-8(7)6-1-2-10-3-6/h1-5,10H.
What are the key properties of 5-bromo-4-(1H-pyrrol-3-yl)pyrimidine?
5-bromo-4-(1H-pyrrol-3-yl)pyrimidine has a molecular weight of 224.06 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1H-pyrrol-3-yl)pyrimidine is sourced from PubChem (CID 96590664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).