(3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol

C10H14N2O — CID 124508626

IUPAC(3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol
SMILESCc1ccc([C@@]2(O)CCNC2)cn1
InChIInChI=1S/C10H14N2O/c1-8-2-3-9(6-12-8)10(13)4-5-11-7-10/h2-3,6,11,13H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyYIVZEGNHWPSXBZ-SNVBAGLBSA-N
MW178.24 g/mol
LogP0.57
Rot. Bonds1

About (3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol

(3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol (PubChem CID 124508626) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol
PubChem CID124508626
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol
SMILESCc1ccc([C@@]2(O)CCNC2)cn1
InChIInChI=1S/C10H14N2O/c1-8-2-3-9(6-12-8)10(13)4-5-11-7-10/h2-3,6,11,13H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyYIVZEGNHWPSXBZ-SNVBAGLBSA-N
XLogP0.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(6-methyl-3-pyridinyl)piperidin-4-ol
CID 114501836
ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol
CID 156651418
(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol
CID 92967135
3-[6-(dimethylamino)-3-pyridinyl]azetidin-3-ol
CID 126976774
(3R)-3-phenylpyrrolidin-3-ol;hydrochloride
CID 154574670
3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol
CID 58408475
4-(6-propoxy-3-pyridinyl)piperidin-4-ol
CID 69450972
4-(diethylamino)-1-(6-methyl-3-pyridinyl)cyclohexan-1-ol
CID 123159243
1-(6-methyl-3-pyridinyl)cycloheptan-1-amine
CID 63155403
(3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone
CID 116570190
1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide
CID 166815673
2-methyl-1-(6-methyl-3-pyridinyl)cyclopentan-1-ol
CID 65049994

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol (CID 124508626) is (3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol is Cc1ccc([C@@]2(O)CCNC2)cn1.
What is the InChIKey of (3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol?
The InChIKey is YIVZEGNHWPSXBZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-2-3-9(6-12-8)10(13)4-5-11-7-10/h2-3,6,11,13H,4-5,7H2,1H3/t10-/m1/s1.
What are the key properties of (3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol?
(3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol has a molecular weight of 178.24 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 124508626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).