2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol

C17H16FNO — CID 18397661

IUPAC2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol
SMILESCC1=C(CCO)c2cc(F)ccc2/C1=C1\C=CN=CC1
InChIInChI=1S/C17H16FNO/c1-11-14(6-9-20)16-10-13(18)2-3-15(16)17(11)12-4-7-19-8-5-12/h2-4,7-8,10,20H,5-6,9H2,1H3/b17-12+
InChIKeyKOKYDWZAVOWOPD-SFQUDFHCSA-N
MW269.32 g/mol
LogP3.74
Rot. Bonds2

About 2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol

2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol (PubChem CID 18397661) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol
PubChem CID18397661
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol
SMILESCC1=C(CCO)c2cc(F)ccc2/C1=C1\C=CN=CC1
InChIInChI=1S/C17H16FNO/c1-11-14(6-9-20)16-10-13(18)2-3-15(16)17(11)12-4-7-19-8-5-12/h2-4,7-8,10,20H,5-6,9H2,1H3/b17-12+
InChIKeyKOKYDWZAVOWOPD-SFQUDFHCSA-N
XLogP3.74
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol?
The IUPAC name of 2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol (CID 18397661) is 2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol.
What is the SMILES notation for 2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol?
The canonical SMILES for 2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol is CC1=C(CCO)c2cc(F)ccc2/C1=C1\C=CN=CC1.
What is the InChIKey of 2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol?
The InChIKey is KOKYDWZAVOWOPD-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H16FNO/c1-11-14(6-9-20)16-10-13(18)2-3-15(16)17(11)12-4-7-19-8-5-12/h2-4,7-8,10,20H,5-6,9H2,1H3/b17-12+.
What are the key properties of 2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol?
2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol has a molecular weight of 269.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-6-fluoro-2-methyl-3-(3H-pyridin-4-ylidene)inden-1-yl]ethanol is sourced from PubChem (CID 18397661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).