5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine

C10H12BrFN2 — CID 131052459

IUPAC5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine
SMILESF[C@@H]1CCC[C@@H]1Nc1ccc(Br)cn1
InChIInChI=1S/C10H12BrFN2/c11-7-4-5-10(13-6-7)14-9-3-1-2-8(9)12/h4-6,8-9H,1-3H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyVOPIJQZMYOYYJS-BDAKNGLRSA-N
MW259.12 g/mol
LogP3.15
Rot. Bonds2

About 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine

5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine (PubChem CID 131052459) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine
PubChem CID131052459
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine
SMILESF[C@@H]1CCC[C@@H]1Nc1ccc(Br)cn1
InChIInChI=1S/C10H12BrFN2/c11-7-4-5-10(13-6-7)14-9-3-1-2-8(9)12/h4-6,8-9H,1-3H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyVOPIJQZMYOYYJS-BDAKNGLRSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine (CID 131052459) is 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine is F[C@@H]1CCC[C@@H]1Nc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine?
The InChIKey is VOPIJQZMYOYYJS-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H12BrFN2/c11-7-4-5-10(13-6-7)14-9-3-1-2-8(9)12/h4-6,8-9H,1-3H2,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine?
5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine has a molecular weight of 259.12 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine is sourced from PubChem (CID 131052459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).