2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol

C11H16ClNO — CID 134598877

IUPAC2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol
SMILESCC(C)c1cc(Cl)c(C(C)(C)O)cn1
InChIInChI=1S/C11H16ClNO/c1-7(2)10-5-9(12)8(6-13-10)11(3,4)14/h5-7,14H,1-4H3
InChIKeyBBGVNRWYTDSMPG-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.09
Rot. Bonds2

About 2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol

2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol (PubChem CID 134598877) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol
PubChem CID134598877
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol
SMILESCC(C)c1cc(Cl)c(C(C)(C)O)cn1
InChIInChI=1S/C11H16ClNO/c1-7(2)10-5-9(12)8(6-13-10)11(3,4)14/h5-7,14H,1-4H3
InChIKeyBBGVNRWYTDSMPG-UHFFFAOYSA-N
XLogP3.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-propan-2-ylpyridin-3-ol
CID 137430769
2-[4-chloro-6-(ethylamino)-3-pyridinyl]propan-2-ol
CID 138648284
2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 21073242
2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol
CID 82449344
ethane;2,4,5-tri(propan-2-yl)pyridine
CID 167652229
ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol
CID 142544002
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol
CID 157267746
2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol
CID 177140026
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057
2-(2-amino-4,5-dichlorophenyl)propan-2-ol
CID 139377730

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol?
The IUPAC name of 2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol (CID 134598877) is 2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol?
The canonical SMILES for 2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol is CC(C)c1cc(Cl)c(C(C)(C)O)cn1.
What is the InChIKey of 2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol?
The InChIKey is BBGVNRWYTDSMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7(2)10-5-9(12)8(6-13-10)11(3,4)14/h5-7,14H,1-4H3.
What are the key properties of 2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol?
2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol has a molecular weight of 213.71 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 134598877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).