2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride

C12H13BrClFN4 — CID 126623215

IUPAC2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride
SMILESCl.F[C@H]1CN[C@H](c2ncc(-c3cccc(Br)n3)[nH]2)C1
InChIInChI=1S/C12H12BrFN4.ClH/c13-11-3-1-2-8(17-11)10-6-16-12(18-10)9-4-7(14)5-15-9;/h1-3,6-7,9,15H,4-5H2,(H,16,18);1H/t7-,9+;/m1./s1
InChIKeyWDQWTMQGVUYCDA-JXLXBRSFSA-N
MW347.62 g/mol
LogP3.03
Rot. Bonds2

About 2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride

2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride (PubChem CID 126623215) has the molecular formula C12H13BrClFN4 and a molecular weight of 347.62 g/mol. Its IUPAC name is 2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride
PubChem CID126623215
Molecular FormulaC12H13BrClFN4
Molecular Weight347.62 g/mol
Exact Mass346.00
IUPAC Name2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride
SMILESCl.F[C@H]1CN[C@H](c2ncc(-c3cccc(Br)n3)[nH]2)C1
InChIInChI=1S/C12H12BrFN4.ClH/c13-11-3-1-2-8(17-11)10-6-16-12(18-10)9-4-7(14)5-15-9;/h1-3,6-7,9,15H,4-5H2,(H,16,18);1H/t7-,9+;/m1./s1
InChIKeyWDQWTMQGVUYCDA-JXLXBRSFSA-N
XLogP3.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.62
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole
CID 118324161
2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3H-pyrrol-5-yl]pyridine
CID 160977487
2-(3-bromophenyl)-4-fluoropyrrolidine
CID 84728358
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493088
5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493089
5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole
CID 123588571
(2S,4S)-N-[9,9-difluoro-7-[4-[2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]fluoren-2-yl]-4-fluoropyrrolidine-2-carboxamide
CID 129126055
2-(4-bromophenyl)-4-fluoropyrrolidine
CID 84728357
5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61213947
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-6-[4-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole
CID 67106752
5-fluoro-2-(2-piperidin-2-yl-1H-imidazol-5-yl)pyridine
CID 83124993
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine
CID 131735785

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride?
The IUPAC name of 2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride (CID 126623215) is 2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride.
What is the SMILES notation for 2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride?
The canonical SMILES for 2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride is Cl.F[C@H]1CN[C@H](c2ncc(-c3cccc(Br)n3)[nH]2)C1.
What is the InChIKey of 2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride?
The InChIKey is WDQWTMQGVUYCDA-JXLXBRSFSA-N. The full InChI is InChI=1S/C12H12BrFN4.ClH/c13-11-3-1-2-8(17-11)10-6-16-12(18-10)9-4-7(14)5-15-9;/h1-3,6-7,9,15H,4-5H2,(H,16,18);1H/t7-,9+;/m1./s1.
What are the key properties of 2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride?
2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride has a molecular weight of 347.62 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride is sourced from PubChem (CID 126623215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).