(7-bromoquinolin-2-yl)methylcarbamic acid

C11H9BrN2O2 — CID 68901462

IUPAC(7-bromoquinolin-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1ccc2ccc(Br)cc2n1
InChIInChI=1S/C11H9BrN2O2/c12-8-3-1-7-2-4-9(6-13-11(15)16)14-10(7)5-8/h1-5,13H,6H2,(H,15,16)
InChIKeyRFABJIFFWPPPPY-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.76
Rot. Bonds2

About (7-bromoquinolin-2-yl)methylcarbamic acid

(7-bromoquinolin-2-yl)methylcarbamic acid (PubChem CID 68901462) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is (7-bromoquinolin-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(7-bromoquinolin-2-yl)methylcarbamic acid
PubChem CID68901462
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name(7-bromoquinolin-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1ccc2ccc(Br)cc2n1
InChIInChI=1S/C11H9BrN2O2/c12-8-3-1-7-2-4-9(6-13-11(15)16)14-10(7)5-8/h1-5,13H,6H2,(H,15,16)
InChIKeyRFABJIFFWPPPPY-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-bromoquinolin-2-yl)methylcarbamic acid?
The IUPAC name of (7-bromoquinolin-2-yl)methylcarbamic acid (CID 68901462) is (7-bromoquinolin-2-yl)methylcarbamic acid.
What is the SMILES notation for (7-bromoquinolin-2-yl)methylcarbamic acid?
The canonical SMILES for (7-bromoquinolin-2-yl)methylcarbamic acid is O=C(O)NCc1ccc2ccc(Br)cc2n1.
What is the InChIKey of (7-bromoquinolin-2-yl)methylcarbamic acid?
The InChIKey is RFABJIFFWPPPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-8-3-1-7-2-4-9(6-13-11(15)16)14-10(7)5-8/h1-5,13H,6H2,(H,15,16).
What are the key properties of (7-bromoquinolin-2-yl)methylcarbamic acid?
(7-bromoquinolin-2-yl)methylcarbamic acid has a molecular weight of 281.11 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromoquinolin-2-yl)methylcarbamic acid is sourced from PubChem (CID 68901462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).