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

C11H15BrFN3 — CID 141031306

IUPAC(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine
SMILESNN1CCCCC[C@@H]1c1cnc(Br)c(F)c1
InChIInChI=1S/C11H15BrFN3/c12-11-9(13)6-8(7-15-11)10-4-2-1-3-5-16(10)14/h6-7,10H,1-5,14H2/t10-/m1/s1
InChIKeyTWHGNAZHIDMLQX-SNVBAGLBSA-N
MW288.16 g/mol
LogP2.77
Rot. Bonds1

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

(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine (PubChem CID 141031306) has the molecular formula C11H15BrFN3 and a molecular weight of 288.16 g/mol. Its IUPAC name is (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine.

Molecular Properties

Compound Name(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine
PubChem CID141031306
Molecular FormulaC11H15BrFN3
Molecular Weight288.16 g/mol
Exact Mass287.04
IUPAC Name(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine
SMILESNN1CCCCC[C@@H]1c1cnc(Br)c(F)c1
InChIInChI=1S/C11H15BrFN3/c12-11-9(13)6-8(7-15-11)10-4-2-1-3-5-16(10)14/h6-7,10H,1-5,14H2/t10-/m1/s1
InChIKeyTWHGNAZHIDMLQX-SNVBAGLBSA-N
XLogP2.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.77
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)pyrrolidin-1-amine
CID 141031304
(2R)-2-(5-bromo-6-chloro-3-pyridinyl)piperidin-1-amine
CID 141031211
(2R)-2-(6-chloro-5-methoxy-3-pyridinyl)piperidin-1-amine
CID 141031286
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
2-(4-bromophenyl)pyrrolidin-1-amine
CID 83542523
(3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine
CID 130677279
2-(2,4-difluorophenyl)pyrrolidin-1-amine
CID 83531554
2-(4-methylsulfanylphenyl)pyrrolidin-1-amine
CID 83533343
2-phenylpyrrolidin-1-amine;hydrochloride
CID 75360806
2-(7-methylimidazo[1,2-c]pyrimidin-5-yl)azepan-1-amine
CID 82384867
[2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine
CID 115043434

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine?
The IUPAC name of (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine (CID 141031306) is (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine.
What is the SMILES notation for (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine?
The canonical SMILES for (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine is NN1CCCCC[C@@H]1c1cnc(Br)c(F)c1.
What is the InChIKey of (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine?
The InChIKey is TWHGNAZHIDMLQX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15BrFN3/c12-11-9(13)6-8(7-15-11)10-4-2-1-3-5-16(10)14/h6-7,10H,1-5,14H2/t10-/m1/s1.
What are the key properties of (2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine?
(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine has a molecular weight of 288.16 g/mol, XLogP of 2.77, 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)azepan-1-amine is sourced from PubChem (CID 141031306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).