3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine

C10H12BrFN2 — CID 176596219

IUPAC3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine
SMILESCc1cnc(N2CC[C@H](F)C2)c(Br)c1
InChIInChI=1S/C10H12BrFN2/c1-7-4-9(11)10(13-5-7)14-3-2-8(12)6-14/h4-5,8H,2-3,6H2,1H3/t8-/m0/s1
InChIKeyYEYSKGSBJXIXJP-QMMMGPOBSA-N
MW259.12 g/mol
LogP2.70
Rot. Bonds1

About 3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine

3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine (PubChem CID 176596219) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine
PubChem CID176596219
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine
SMILESCc1cnc(N2CC[C@H](F)C2)c(Br)c1
InChIInChI=1S/C10H12BrFN2/c1-7-4-9(11)10(13-5-7)14-3-2-8(12)6-14/h4-5,8H,2-3,6H2,1H3/t8-/m0/s1
InChIKeyYEYSKGSBJXIXJP-QMMMGPOBSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine?
The IUPAC name of 3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine (CID 176596219) is 3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine?
The canonical SMILES for 3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine is Cc1cnc(N2CC[C@H](F)C2)c(Br)c1.
What is the InChIKey of 3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine?
The InChIKey is YEYSKGSBJXIXJP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12BrFN2/c1-7-4-9(11)10(13-5-7)14-3-2-8(12)6-14/h4-5,8H,2-3,6H2,1H3/t8-/m0/s1.
What are the key properties of 3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine?
3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine has a molecular weight of 259.12 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylpyridine is sourced from PubChem (CID 176596219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).