[6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol

C11H17ClN2O — CID 150025365

IUPAC[6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol
SMILESCC(C)(C)CNc1cc(Cl)ncc1CO
InChIInChI=1S/C11H17ClN2O/c1-11(2,3)7-14-9-4-10(12)13-5-8(9)6-15/h4-5,15H,6-7H2,1-3H3,(H,13,14)
InChIKeyDGCSELCORUUWIS-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.69
Rot. Bonds3

About [6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol

[6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol (PubChem CID 150025365) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is [6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol
PubChem CID150025365
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name[6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol
SMILESCC(C)(C)CNc1cc(Cl)ncc1CO
InChIInChI=1S/C11H17ClN2O/c1-11(2,3)7-14-9-4-10(12)13-5-8(9)6-15/h4-5,15H,6-7H2,1-3H3,(H,13,14)
InChIKeyDGCSELCORUUWIS-UHFFFAOYSA-N
XLogP2.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol?
The IUPAC name of [6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol (CID 150025365) is [6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol?
The canonical SMILES for [6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol is CC(C)(C)CNc1cc(Cl)ncc1CO.
What is the InChIKey of [6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol?
The InChIKey is DGCSELCORUUWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-11(2,3)7-14-9-4-10(12)13-5-8(9)6-15/h4-5,15H,6-7H2,1-3H3,(H,13,14).
What are the key properties of [6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol?
[6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol has a molecular weight of 228.72 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol is sourced from PubChem (CID 150025365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).