ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol

C11H19NO — CID 144739559

IUPACethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol
SMILESCC.CC[C@H](O)c1cccnc1C
InChIInChI=1S/C9H13NO.C2H6/c1-3-9(11)8-5-4-6-10-7(8)2;1-2/h4-6,9,11H,3H2,1-2H3;1-2H3/t9-;/m0./s1
InChIKeyKDSNZOKGWTTYQG-FVGYRXGTSA-N
MW181.28 g/mol
LogP2.86
Rot. Bonds2

About ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol

ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol (PubChem CID 144739559) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Nameethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol
PubChem CID144739559
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol
SMILESCC.CC[C@H](O)c1cccnc1C
InChIInChI=1S/C9H13NO.C2H6/c1-3-9(11)8-5-4-6-10-7(8)2;1-2/h4-6,9,11H,3H2,1-2H3;1-2H3/t9-;/m0./s1
InChIKeyKDSNZOKGWTTYQG-FVGYRXGTSA-N
XLogP2.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-amino-1-(2-methyl-3-pyridinyl)ethanol
CID 96635768
3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol
CID 105076232
(1S)-1-(2-fluoro-3-pyridinyl)propan-1-ol
CID 130786152
ethane;3-heptan-4-yl-2-methylpyridine
CID 143825065
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
3-hexan-3-yl-2-methylpyridine
CID 143825062
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
ethane;2-methyl-3-propan-2-ylpyridine;vanadium
CID 143650392
2-(3-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105076776
(1R)-1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
CID 103954577
(2-methylphenyl)-(2-methyl-3-pyridinyl)methanol
CID 105078767
(2S)-2-amino-2-(2-methyl-3-pyridinyl)ethanol
CID 55263472

Frequently Asked Questions

What is the IUPAC name of ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol?
The IUPAC name of ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol (CID 144739559) is ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol?
The canonical SMILES for ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol is CC.CC[C@H](O)c1cccnc1C.
What is the InChIKey of ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol?
The InChIKey is KDSNZOKGWTTYQG-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-3-9(11)8-5-4-6-10-7(8)2;1-2/h4-6,9,11H,3H2,1-2H3;1-2H3/t9-;/m0./s1.
What are the key properties of ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol?
ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 144739559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).