(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine

C9H11BrFN3 — CID 141031304

IUPAC(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine
SMILESNN1CCC[C@@H]1c1cnc(Br)c(F)c1
InChIInChI=1S/C9H11BrFN3/c10-9-7(11)4-6(5-13-9)8-2-1-3-14(8)12/h4-5,8H,1-3,12H2/t8-/m1/s1
InChIKeyYGWRRHIRLMGLLL-MRVPVSSYSA-N
MW260.11 g/mol
LogP1.99
Rot. Bonds1

About (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine

(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine (PubChem CID 141031304) has the molecular formula C9H11BrFN3 and a molecular weight of 260.11 g/mol. Its IUPAC name is (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine
PubChem CID141031304
Molecular FormulaC9H11BrFN3
Molecular Weight260.11 g/mol
Exact Mass259.01
IUPAC Name(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine
SMILESNN1CCC[C@@H]1c1cnc(Br)c(F)c1
InChIInChI=1S/C9H11BrFN3/c10-9-7(11)4-6(5-13-9)8-2-1-3-14(8)12/h4-5,8H,1-3,12H2/t8-/m1/s1
InChIKeyYGWRRHIRLMGLLL-MRVPVSSYSA-N
XLogP1.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine
CID 141031306
(2R)-2-(5-bromo-6-chloro-3-pyridinyl)piperidin-1-amine
CID 141031211
2-(4-bromophenyl)pyrrolidin-1-amine
CID 83542523
(2R)-2-(6-chloro-5-methoxy-3-pyridinyl)piperidin-1-amine
CID 141031286
2-(2,4-difluorophenyl)pyrrolidin-1-amine
CID 83531554
(3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine
CID 130677279
2-phenylpyrrolidin-1-amine;hydrochloride
CID 75360806
2-(4-methylsulfanylphenyl)pyrrolidin-1-amine
CID 83533343
6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 82383496
2-pyridin-3-ylpiperidin-1-amine
CID 5026347
5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 125141234
5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine?
The IUPAC name of (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine (CID 141031304) is (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine.
What is the SMILES notation for (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine?
The canonical SMILES for (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine is NN1CCC[C@@H]1c1cnc(Br)c(F)c1.
What is the InChIKey of (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine?
The InChIKey is YGWRRHIRLMGLLL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11BrFN3/c10-9-7(11)4-6(5-13-9)8-2-1-3-14(8)12/h4-5,8H,1-3,12H2/t8-/m1/s1.
What are the key properties of (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine?
(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine has a molecular weight of 260.11 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine is sourced from PubChem (CID 141031304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).