5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine

C12H14BrFN2 — CID 104925005

IUPAC5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
SMILESFc1cc(Br)cnc1NCCC1=CCCC1
InChIInChI=1S/C12H14BrFN2/c13-10-7-11(14)12(16-8-10)15-6-5-9-3-1-2-4-9/h3,7-8H,1-2,4-6H2,(H,15,16)
InChIKeyHLIMMDTUSNBLJM-UHFFFAOYSA-N
MW285.16 g/mol
LogP3.90
Rot. Bonds4

About 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine

5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine (PubChem CID 104925005) has the molecular formula C12H14BrFN2 and a molecular weight of 285.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
PubChem CID104925005
Molecular FormulaC12H14BrFN2
Molecular Weight285.16 g/mol
Exact Mass284.03
IUPAC Name5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
SMILESFc1cc(Br)cnc1NCCC1=CCCC1
InChIInChI=1S/C12H14BrFN2/c13-10-7-11(14)12(16-8-10)15-6-5-9-3-1-2-4-9/h3,7-8H,1-2,4-6H2,(H,15,16)
InChIKeyHLIMMDTUSNBLJM-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine
CID 103844172
3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
CID 106177550
5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine
CID 106197318
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine
CID 107488677
5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 104924719
5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 104923732
N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104923678
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine
CID 106173773
5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 104924731
5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile
CID 106166022
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine
CID 106039969

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine (CID 104925005) is 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine is Fc1cc(Br)cnc1NCCC1=CCCC1.
What is the InChIKey of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine?
The InChIKey is HLIMMDTUSNBLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2/c13-10-7-11(14)12(16-8-10)15-6-5-9-3-1-2-4-9/h3,7-8H,1-2,4-6H2,(H,15,16).
What are the key properties of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine?
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine has a molecular weight of 285.16 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 104925005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).