(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride

C8H11BrClFN2 — CID 171222972

IUPAC(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCl.N[C@@H](CCF)c1cccc(Br)n1
InChIInChI=1S/C8H10BrFN2.ClH/c9-8-3-1-2-7(12-8)6(11)4-5-10;/h1-3,6H,4-5,11H2;1H/t6-;/m0./s1
InChIKeyKCRLBSJYRAGLCS-RGMNGODLSA-N
MW269.55 g/mol
LogP2.63
Rot. Bonds3

About (1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride

(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride (PubChem CID 171222972) has the molecular formula C8H11BrClFN2 and a molecular weight of 269.55 g/mol. Its IUPAC name is (1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
PubChem CID171222972
Molecular FormulaC8H11BrClFN2
Molecular Weight269.55 g/mol
Exact Mass267.98
IUPAC Name(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCl.N[C@@H](CCF)c1cccc(Br)n1
InChIInChI=1S/C8H10BrFN2.ClH/c9-8-3-1-2-7(12-8)6(11)4-5-10;/h1-3,6H,4-5,11H2;1H/t6-;/m0./s1
InChIKeyKCRLBSJYRAGLCS-RGMNGODLSA-N
XLogP2.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.55
LogP ≤ 52.63
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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Related Compounds

(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171222954
(1R)-1-(6-bromo-2-pyridinyl)-4-methylpentan-1-amine;hydrochloride
CID 171203416
(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride
CID 171203412
2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
CID 121347573
(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171203397
(1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203392
ethyl (3R)-3-amino-3-(6-bromo-2-pyridinyl)-2-fluoropropanoate
CID 171240797
(1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine
CID 130606678
(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine
CID 130835904
(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride
CID 171222960
(1R,2S)-1-(6-bromo-2-pyridinyl)propane-1,2-diamine
CID 130806151
2-bromo-6-(1-bromo-2-fluoroethyl)pyridine;1-(6-bromo-2-pyridinyl)-2-fluoroethanol
CID 158941102

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride (CID 171222972) is (1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride is Cl.N[C@@H](CCF)c1cccc(Br)n1.
What is the InChIKey of (1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride?
The InChIKey is KCRLBSJYRAGLCS-RGMNGODLSA-N. The full InChI is InChI=1S/C8H10BrFN2.ClH/c9-8-3-1-2-7(12-8)6(11)4-5-10;/h1-3,6H,4-5,11H2;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride?
(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride has a molecular weight of 269.55 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171222972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).