1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol

C12H18Cl2N2O — CID 107153275

IUPAC1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O/c1-12(2,3)5-9(17)7-16-11-10(14)4-8(13)6-15-11/h4,6,9,17H,5,7H2,1-3H3,(H,15,16)
InChIKeyRZGIHMYJGYWFEW-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.60
Rot. Bonds4

About 1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol

1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107153275) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107153275
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O/c1-12(2,3)5-9(17)7-16-11-10(14)4-8(13)6-15-11/h4,6,9,17H,5,7H2,1-3H3,(H,15,16)
InChIKeyRZGIHMYJGYWFEW-UHFFFAOYSA-N
XLogP3.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol (CID 107153275) is 1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNc1ncc(Cl)cc1Cl.
What is the InChIKey of 1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is RZGIHMYJGYWFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c1-12(2,3)5-9(17)7-16-11-10(14)4-8(13)6-15-11/h4,6,9,17H,5,7H2,1-3H3,(H,15,16).
What are the key properties of 1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol?
1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 277.19 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107153275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).