(Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile

C17H12FN3O — CID 171787546

IUPAC(Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile
SMILESCOc1ccncc1/C=C(\C#N)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H12FN3O/c1-22-17-4-5-20-9-12(17)6-11(8-19)15-10-21-16-3-2-13(18)7-14(15)16/h2-7,9-10,21H,1H3/b11-6+
InChIKeyARQSNZNEDXHMLI-IZZDOVSWSA-N
MW293.30 g/mol
LogP3.77
Rot. Bonds3

About (Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile

(Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile (PubChem CID 171787546) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is (Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile
PubChem CID171787546
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name(Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile
SMILESCOc1ccncc1/C=C(\C#N)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H12FN3O/c1-22-17-4-5-20-9-12(17)6-11(8-19)15-10-21-16-3-2-13(18)7-14(15)16/h2-7,9-10,21H,1H3/b11-6+
InChIKeyARQSNZNEDXHMLI-IZZDOVSWSA-N
XLogP3.77
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile (CID 171787546) is (Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile is COc1ccncc1/C=C(\C#N)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of (Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile?
The InChIKey is ARQSNZNEDXHMLI-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H12FN3O/c1-22-17-4-5-20-9-12(17)6-11(8-19)15-10-21-16-3-2-13(18)7-14(15)16/h2-7,9-10,21H,1H3/b11-6+.
What are the key properties of (Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile?
(Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile has a molecular weight of 293.30 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-fluoro-1H-indol-3-yl)-3-(4-methoxy-3-pyridinyl)prop-2-enenitrile is sourced from PubChem (CID 171787546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).