5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol

C8H12ClNO — CID 134397914

IUPAC5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol
SMILESCC(C)C1=CC(Cl)=CNC1O
InChIInChI=1S/C8H12ClNO/c1-5(2)7-3-6(9)4-10-8(7)11/h3-5,8,10-11H,1-2H3
InChIKeyIISXWTVUPAKTAV-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.57
Rot. Bonds1

About 5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol

5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol (PubChem CID 134397914) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol.

Molecular Properties

Compound Name5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol
PubChem CID134397914
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol
SMILESCC(C)C1=CC(Cl)=CNC1O
InChIInChI=1S/C8H12ClNO/c1-5(2)7-3-6(9)4-10-8(7)11/h3-5,8,10-11H,1-2H3
InChIKeyIISXWTVUPAKTAV-UHFFFAOYSA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol?
The IUPAC name of 5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol (CID 134397914) is 5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol.
What is the SMILES notation for 5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol?
The canonical SMILES for 5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol is CC(C)C1=CC(Cl)=CNC1O.
What is the InChIKey of 5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol?
The InChIKey is IISXWTVUPAKTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO/c1-5(2)7-3-6(9)4-10-8(7)11/h3-5,8,10-11H,1-2H3.
What are the key properties of 5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol?
5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol has a molecular weight of 173.64 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-propan-2-yl-1,2-dihydropyridin-2-ol is sourced from PubChem (CID 134397914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).