2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol

C11H16BrClN2O — CID 114835868

IUPAC2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C11H16BrClN2O/c1-3-11(4-2,7-16)15-10-9(12)5-8(13)6-14-10/h5-6,16H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyPKUSUMSKZCECER-UHFFFAOYSA-N
MW307.62 g/mol
LogP3.46
Rot. Bonds5

About 2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol

2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol (PubChem CID 114835868) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol
PubChem CID114835868
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C11H16BrClN2O/c1-3-11(4-2,7-16)15-10-9(12)5-8(13)6-14-10/h5-6,16H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyPKUSUMSKZCECER-UHFFFAOYSA-N
XLogP3.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol (CID 114835868) is 2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1ncc(Cl)cc1Br.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol?
The InChIKey is PKUSUMSKZCECER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O/c1-3-11(4-2,7-16)15-10-9(12)5-8(13)6-14-10/h5-6,16H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol?
2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol has a molecular weight of 307.62 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 114835868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).