5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine

C15H16BrFN4 — CID 133404187

IUPAC5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
SMILESCc1cc(NC2CCN(c3ncccc3F)C2)ncc1Br
InChIInChI=1S/C15H16BrFN4/c1-10-7-14(19-8-12(10)16)20-11-4-6-21(9-11)15-13(17)3-2-5-18-15/h2-3,5,7-8,11H,4,6,9H2,1H3,(H,19,20)
InChIKeyFZFXTOCYVYXOAF-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.38
Rot. Bonds3

About 5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine

5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine (PubChem CID 133404187) has the molecular formula C15H16BrFN4 and a molecular weight of 351.22 g/mol. Its IUPAC name is 5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
PubChem CID133404187
Molecular FormulaC15H16BrFN4
Molecular Weight351.22 g/mol
Exact Mass350.05
IUPAC Name5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
SMILESCc1cc(NC2CCN(c3ncccc3F)C2)ncc1Br
InChIInChI=1S/C15H16BrFN4/c1-10-7-14(19-8-12(10)16)20-11-4-6-21(9-11)15-13(17)3-2-5-18-15/h2-3,5,7-8,11H,4,6,9H2,1H3,(H,19,20)
InChIKeyFZFXTOCYVYXOAF-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 133404265
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994309
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994184
2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133412333
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
(3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine
CID 97233255
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171994045
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133491003
2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
CID 102960811
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]urea
CID 97222896
4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114869071
3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine
CID 167898363

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine (CID 133404187) is 5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine is Cc1cc(NC2CCN(c3ncccc3F)C2)ncc1Br.
What is the InChIKey of 5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine?
The InChIKey is FZFXTOCYVYXOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN4/c1-10-7-14(19-8-12(10)16)20-11-4-6-21(9-11)15-13(17)3-2-5-18-15/h2-3,5,7-8,11H,4,6,9H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine?
5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine has a molecular weight of 351.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine is sourced from PubChem (CID 133404187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).