5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine

C10H12BrFN2 — CID 104919102

IUPAC5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
SMILESCC1CCN(c2ncc(Br)cc2F)C1
InChIInChI=1S/C10H12BrFN2/c1-7-2-3-14(6-7)10-9(12)4-8(11)5-13-10/h4-5,7H,2-3,6H2,1H3
InChIKeyTUCXYUGKBKRWNK-UHFFFAOYSA-N
MW259.12 g/mol
LogP2.83
Rot. Bonds1

About 5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine

5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine (PubChem CID 104919102) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
PubChem CID104919102
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
SMILESCC1CCN(c2ncc(Br)cc2F)C1
InChIInChI=1S/C10H12BrFN2/c1-7-2-3-14(6-7)10-9(12)4-8(11)5-13-10/h4-5,7H,2-3,6H2,1H3
InChIKeyTUCXYUGKBKRWNK-UHFFFAOYSA-N
XLogP2.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342
5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 104924733
5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine
CID 104924417
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
CID 104918893
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
5-bromo-2-(3-methylpiperidin-1-yl)pyridin-3-amine
CID 61228660
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994184
4-(5-bromo-3-fluoro-2-pyridinyl)-2-ethylmorpholine
CID 104918840
5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 104923920
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171994045
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile
CID 104924211

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine (CID 104919102) is 5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine is CC1CCN(c2ncc(Br)cc2F)C1.
What is the InChIKey of 5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine?
The InChIKey is TUCXYUGKBKRWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2/c1-7-2-3-14(6-7)10-9(12)4-8(11)5-13-10/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine?
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine has a molecular weight of 259.12 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 104919102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).