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4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol

C10H18ClNO — CID 164656244

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCC=C(Cl)C1
InChIInChI=1S/C10H18ClNO/c1-10(2,13)5-7-12-6-3-4-9(11)8-12/h4,13H,3,5-8H2,1-2H3
InChIKeyKOCMCTBXOVXQHO-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.98
Rot. Bonds3

About 4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol

4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol (PubChem CID 164656244) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol
PubChem CID164656244
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCC=C(Cl)C1
InChIInChI=1S/C10H18ClNO/c1-10(2,13)5-7-12-6-3-4-9(11)8-12/h4,13H,3,5-8H2,1-2H3
InChIKeyKOCMCTBXOVXQHO-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol (CID 164656244) is 4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol is CC(C)(O)CCN1CCC=C(Cl)C1.
What is the InChIKey of 4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol?
The InChIKey is KOCMCTBXOVXQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-10(2,13)5-7-12-6-3-4-9(11)8-12/h4,13H,3,5-8H2,1-2H3.
What are the key properties of 4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol?
4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol has a molecular weight of 203.71 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 164656244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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