1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride

C8H11Cl2NO — CID 174430091

IUPAC1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride
SMILESCC(O)Cc1ncccc1Cl.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-6(11)5-8-7(9)3-2-4-10-8;/h2-4,6,11H,5H2,1H3;1H
InChIKeyZJNFFDHJJJQHPJ-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.08
Rot. Bonds2

About 1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride

1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride (PubChem CID 174430091) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride
PubChem CID174430091
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride
SMILESCC(O)Cc1ncccc1Cl.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-6(11)5-8-7(9)3-2-4-10-8;/h2-4,6,11H,5H2,1H3;1H
InChIKeyZJNFFDHJJJQHPJ-UHFFFAOYSA-N
XLogP2.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol
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1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol
CID 138037493
lithium 2-(3-chloro-2-pyridinyl)acetate
CID 133054150
4-(3-bromo-2-pyridinyl)butan-2-ol
CID 130576069
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
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1-(2,3-dichlorophenyl)propan-2-ol;methanol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride (CID 174430091) is 1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride is CC(O)Cc1ncccc1Cl.Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride?
The InChIKey is ZJNFFDHJJJQHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c1-6(11)5-8-7(9)3-2-4-10-8;/h2-4,6,11H,5H2,1H3;1H.
What are the key properties of 1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride?
1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 174430091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).