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

C11H16ClFN2O — CID 79728244

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ncc(Cl)cc1F
InChIInChI=1S/C11H16ClFN2O/c1-3-11(4-2,7-16)15-10-9(13)5-8(12)6-14-10/h5-6,16H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyQVEWCCARVHAWJC-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.84
Rot. Bonds5

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

2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol (PubChem CID 79728244) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol
PubChem CID79728244
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ncc(Cl)cc1F
InChIInChI=1S/C11H16ClFN2O/c1-3-11(4-2,7-16)15-10-9(13)5-8(12)6-14-10/h5-6,16H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyQVEWCCARVHAWJC-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol (CID 79728244) is 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1ncc(Cl)cc1F.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol?
The InChIKey is QVEWCCARVHAWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O/c1-3-11(4-2,7-16)15-10-9(13)5-8(12)6-14-10/h5-6,16H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol?
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol has a molecular weight of 246.71 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 79728244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).