(1S)-1-(5-chloro-3-pyridinyl)ethanol

C7H8ClNO — CID 171991494

IUPAC(1S)-1-(5-chloro-3-pyridinyl)ethanol
SMILESC[C@H](O)c1cncc(Cl)c1
InChIInChI=1S/C7H8ClNO/c1-5(10)6-2-7(8)4-9-3-6/h2-5,10H,1H3/t5-/m0/s1
InChIKeyXEEHTMHSKNSCIW-YFKPBYRVSA-N
MW157.60 g/mol
LogP1.79
Rot. Bonds1

About (1S)-1-(5-chloro-3-pyridinyl)ethanol

(1S)-1-(5-chloro-3-pyridinyl)ethanol (PubChem CID 171991494) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is (1S)-1-(5-chloro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-chloro-3-pyridinyl)ethanol
PubChem CID171991494
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name(1S)-1-(5-chloro-3-pyridinyl)ethanol
SMILESC[C@H](O)c1cncc(Cl)c1
InChIInChI=1S/C7H8ClNO/c1-5(10)6-2-7(8)4-9-3-6/h2-5,10H,1H3/t5-/m0/s1
InChIKeyXEEHTMHSKNSCIW-YFKPBYRVSA-N
XLogP1.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 131023913
(1R,2R)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 55270497
(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
CID 131191100
3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine
CID 176739073
3-butan-2-yl-5-chloropyridine
CID 123919361
(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
(1R)-1-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 64600997
3-(5-chloro-3-pyridinyl)butanoic acid
CID 84669087
1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol
CID 84660765
3-(5-chloro-3-pyridinyl)butanal
CID 57229106
3,5-dichloropyridine;ethane
CID 142010125
4-bromo-1-(5-chloro-3-pyridinyl)butane-1,2-diol
CID 171891473

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-3-pyridinyl)ethanol?
The IUPAC name of (1S)-1-(5-chloro-3-pyridinyl)ethanol (CID 171991494) is (1S)-1-(5-chloro-3-pyridinyl)ethanol.
What is the SMILES notation for (1S)-1-(5-chloro-3-pyridinyl)ethanol?
The canonical SMILES for (1S)-1-(5-chloro-3-pyridinyl)ethanol is C[C@H](O)c1cncc(Cl)c1.
What is the InChIKey of (1S)-1-(5-chloro-3-pyridinyl)ethanol?
The InChIKey is XEEHTMHSKNSCIW-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-5(10)6-2-7(8)4-9-3-6/h2-5,10H,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-3-pyridinyl)ethanol?
(1S)-1-(5-chloro-3-pyridinyl)ethanol has a molecular weight of 157.60 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-3-pyridinyl)ethanol is sourced from PubChem (CID 171991494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).