4-bromo-5-methoxy-1H-pyrrol-2-amine

C5H7BrN2O — CID 164524210

IUPAC4-bromo-5-methoxy-1H-pyrrol-2-amine
SMILESCOc1[nH]c(N)cc1Br
InChIInChI=1S/C5H7BrN2O/c1-9-5-3(6)2-4(7)8-5/h2,8H,7H2,1H3
InChIKeyVCCRUBSHBXHKMD-UHFFFAOYSA-N
MW191.03 g/mol
LogP1.37
Rot. Bonds1

About 4-bromo-5-methoxy-1H-pyrrol-2-amine

4-bromo-5-methoxy-1H-pyrrol-2-amine (PubChem CID 164524210) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 4-bromo-5-methoxy-1H-pyrrol-2-amine.

Molecular Properties

Compound Name4-bromo-5-methoxy-1H-pyrrol-2-amine
PubChem CID164524210
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name4-bromo-5-methoxy-1H-pyrrol-2-amine
SMILESCOc1[nH]c(N)cc1Br
InChIInChI=1S/C5H7BrN2O/c1-9-5-3(6)2-4(7)8-5/h2,8H,7H2,1H3
InChIKeyVCCRUBSHBXHKMD-UHFFFAOYSA-N
XLogP1.37
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-1H-pyrrol-2-amine?
The IUPAC name of 4-bromo-5-methoxy-1H-pyrrol-2-amine (CID 164524210) is 4-bromo-5-methoxy-1H-pyrrol-2-amine.
What is the SMILES notation for 4-bromo-5-methoxy-1H-pyrrol-2-amine?
The canonical SMILES for 4-bromo-5-methoxy-1H-pyrrol-2-amine is COc1[nH]c(N)cc1Br.
What is the InChIKey of 4-bromo-5-methoxy-1H-pyrrol-2-amine?
The InChIKey is VCCRUBSHBXHKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-9-5-3(6)2-4(7)8-5/h2,8H,7H2,1H3.
What are the key properties of 4-bromo-5-methoxy-1H-pyrrol-2-amine?
4-bromo-5-methoxy-1H-pyrrol-2-amine has a molecular weight of 191.03 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-1H-pyrrol-2-amine is sourced from PubChem (CID 164524210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).