[5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol

C12H17ClN2O — CID 79183709

IUPAC[5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol
SMILESCC1CN(c2ncc(CO)cc2Cl)CC1C
InChIInChI=1S/C12H17ClN2O/c1-8-5-15(6-9(8)2)12-11(13)3-10(7-16)4-14-12/h3-4,8-9,16H,5-7H2,1-2H3
InChIKeyYVKMUBDEOMDWRY-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.32
Rot. Bonds2

About [5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol

[5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol (PubChem CID 79183709) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol
PubChem CID79183709
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol
SMILESCC1CN(c2ncc(CO)cc2Cl)CC1C
InChIInChI=1S/C12H17ClN2O/c1-8-5-15(6-9(8)2)12-11(13)3-10(7-16)4-14-12/h3-4,8-9,16H,5-7H2,1-2H3
InChIKeyYVKMUBDEOMDWRY-UHFFFAOYSA-N
XLogP2.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol (CID 79183709) is [5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol is CC1CN(c2ncc(CO)cc2Cl)CC1C.
What is the InChIKey of [5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol?
The InChIKey is YVKMUBDEOMDWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-5-15(6-9(8)2)12-11(13)3-10(7-16)4-14-12/h3-4,8-9,16H,5-7H2,1-2H3.
What are the key properties of [5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol?
[5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol has a molecular weight of 240.73 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 79183709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).