[(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol

C12H17BrN2O2 — CID 128978209

IUPAC[(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(c2nccc(C)c2Br)C1
InChIInChI=1S/C12H17BrN2O2/c1-8-3-4-14-12(11(8)13)15-6-10(17-2)5-9(15)7-16/h3-4,9-10,16H,5-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyNNKKPOHOUQYVAW-VHSXEESVSA-N
MW301.18 g/mol
LogP1.74
Rot. Bonds3

About [(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol

[(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol (PubChem CID 128978209) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is [(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol
PubChem CID128978209
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name[(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(c2nccc(C)c2Br)C1
InChIInChI=1S/C12H17BrN2O2/c1-8-3-4-14-12(11(8)13)15-6-10(17-2)5-9(15)7-16/h3-4,9-10,16H,5-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyNNKKPOHOUQYVAW-VHSXEESVSA-N
XLogP1.74
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 106876337
[(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 128970907
2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 128978208
4-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 128978115
[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 106876332
4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 146477744
3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 106876417
[(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 128975816
2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128978159
6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 128975814
[(2S,4R)-4-methoxy-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]pyrrolidin-2-yl]methanol
CID 138033552
(2-bromofuran-3-yl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985269

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol (CID 128978209) is [(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol is CO[C@@H]1C[C@@H](CO)N(c2nccc(C)c2Br)C1.
What is the InChIKey of [(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol?
The InChIKey is NNKKPOHOUQYVAW-VHSXEESVSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8-3-4-14-12(11(8)13)15-6-10(17-2)5-9(15)7-16/h3-4,9-10,16H,5-7H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of [(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol?
[(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol has a molecular weight of 301.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 128978209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).