2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol

C16H16FN3O — CID 15818613

IUPAC2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol
SMILESCc1cn(N(CCO)c2ccncc2F)c2ccccc12
InChIInChI=1S/C16H16FN3O/c1-12-11-20(15-5-3-2-4-13(12)15)19(8-9-21)16-6-7-18-10-14(16)17/h2-7,10-11,21H,8-9H2,1H3
InChIKeyKREQBFDBEMMALL-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.75
Rot. Bonds4

About 2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol

2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol (PubChem CID 15818613) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol
PubChem CID15818613
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol
SMILESCc1cn(N(CCO)c2ccncc2F)c2ccccc12
InChIInChI=1S/C16H16FN3O/c1-12-11-20(15-5-3-2-4-13(12)15)19(8-9-21)16-6-7-18-10-14(16)17/h2-7,10-11,21H,8-9H2,1H3
InChIKeyKREQBFDBEMMALL-UHFFFAOYSA-N
XLogP2.75
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol?
The IUPAC name of 2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol (CID 15818613) is 2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol?
The canonical SMILES for 2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol is Cc1cn(N(CCO)c2ccncc2F)c2ccccc12.
What is the InChIKey of 2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol?
The InChIKey is KREQBFDBEMMALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-12-11-20(15-5-3-2-4-13(12)15)19(8-9-21)16-6-7-18-10-14(16)17/h2-7,10-11,21H,8-9H2,1H3.
What are the key properties of 2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol?
2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol has a molecular weight of 285.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-pyridinyl)-(3-methylindol-1-yl)amino]ethanol is sourced from PubChem (CID 15818613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).