[4,5-di(propan-2-yl)-2-pyridinyl]methanol

C12H19NO — CID 177367949

IUPAC[4,5-di(propan-2-yl)-2-pyridinyl]methanol
SMILESCC(C)c1cnc(CO)cc1C(C)C
InChIInChI=1S/C12H19NO/c1-8(2)11-5-10(7-14)13-6-12(11)9(3)4/h5-6,8-9,14H,7H2,1-4H3
InChIKeyVUPGTIZNKIFDAC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.82
Rot. Bonds3

About [4,5-di(propan-2-yl)-2-pyridinyl]methanol

[4,5-di(propan-2-yl)-2-pyridinyl]methanol (PubChem CID 177367949) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [4,5-di(propan-2-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4,5-di(propan-2-yl)-2-pyridinyl]methanol
PubChem CID177367949
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[4,5-di(propan-2-yl)-2-pyridinyl]methanol
SMILESCC(C)c1cnc(CO)cc1C(C)C
InChIInChI=1S/C12H19NO/c1-8(2)11-5-10(7-14)13-6-12(11)9(3)4/h5-6,8-9,14H,7H2,1-4H3
InChIKeyVUPGTIZNKIFDAC-UHFFFAOYSA-N
XLogP2.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dimethyl-2-pyridinyl)methanol
CID 14296060
[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 130096445
[5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098028
2-ethyl-5-fluoro-4-propan-2-ylpyridine
CID 137409509
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
5-chloro-2-ethyl-4-propan-2-ylpyridine
CID 137409375
(4-methyl-5-methylsulfanyl-2-pyridinyl)methanol
CID 171157610
ethane;2,4,5-tri(propan-2-yl)pyridine
CID 167652229
[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130097958
(4-chloro-5-ethyl-2-pyridinyl)methanol
CID 119082270
4-amino-6-(hydroxymethyl)pyridin-3-ol
CID 171035977
(4-amino-5-chloro-2-pyridinyl)methanol
CID 130880723

Frequently Asked Questions

What is the IUPAC name of [4,5-di(propan-2-yl)-2-pyridinyl]methanol?
The IUPAC name of [4,5-di(propan-2-yl)-2-pyridinyl]methanol (CID 177367949) is [4,5-di(propan-2-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [4,5-di(propan-2-yl)-2-pyridinyl]methanol?
The canonical SMILES for [4,5-di(propan-2-yl)-2-pyridinyl]methanol is CC(C)c1cnc(CO)cc1C(C)C.
What is the InChIKey of [4,5-di(propan-2-yl)-2-pyridinyl]methanol?
The InChIKey is VUPGTIZNKIFDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)11-5-10(7-14)13-6-12(11)9(3)4/h5-6,8-9,14H,7H2,1-4H3.
What are the key properties of [4,5-di(propan-2-yl)-2-pyridinyl]methanol?
[4,5-di(propan-2-yl)-2-pyridinyl]methanol has a molecular weight of 193.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-di(propan-2-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 177367949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).