1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane

C9H12BrFN2 — CID 143811947

IUPAC1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane
SMILESCF.NC1(c2cccc(Br)n2)CC1
InChIInChI=1S/C8H9BrN2.CH3F/c9-7-3-1-2-6(11-7)8(10)4-5-8;1-2/h1-3H,4-5,10H2;1H3
InChIKeyPQJUZFWFFJPRBQ-UHFFFAOYSA-N
MW247.11 g/mol
LogP2.38
Rot. Bonds1

About 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane

1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane (PubChem CID 143811947) has the molecular formula C9H12BrFN2 and a molecular weight of 247.11 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane
PubChem CID143811947
Molecular FormulaC9H12BrFN2
Molecular Weight247.11 g/mol
Exact Mass246.02
IUPAC Name1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane
SMILESCF.NC1(c2cccc(Br)n2)CC1
InChIInChI=1S/C8H9BrN2.CH3F/c9-7-3-1-2-6(11-7)8(10)4-5-8;1-2/h1-3H,4-5,10H2;1H3
InChIKeyPQJUZFWFFJPRBQ-UHFFFAOYSA-N
XLogP2.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane?
The IUPAC name of 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane (CID 143811947) is 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane is CF.NC1(c2cccc(Br)n2)CC1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane?
The InChIKey is PQJUZFWFFJPRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2.CH3F/c9-7-3-1-2-6(11-7)8(10)4-5-8;1-2/h1-3H,4-5,10H2;1H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane?
1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane has a molecular weight of 247.11 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane is sourced from PubChem (CID 143811947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).