lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride

C16H17AlFLiN2O — CID 158782933

IUPAClithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride
SMILESOCc1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1.[AlH3].[H-].[Li+]
InChIInChI=1S/C16H13FN2O.Al.Li.4H/c17-13-3-1-11(2-4-13)14-9-19-15(10-20)16(14)12-5-7-18-8-6-12;;;;;;/h1-9,19-20H,10H2;;;;;;/q;;+1;;;;-1
InChIKeyKTXMXQRKYABNEM-UHFFFAOYSA-N
MW306.25 g/mol
LogP-0.69
Rot. Bonds3

About lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride

lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride (PubChem CID 158782933) has the molecular formula C16H17AlFLiN2O and a molecular weight of 306.25 g/mol. Its IUPAC name is lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride.

Molecular Properties

Compound Namelithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride
PubChem CID158782933
Molecular FormulaC16H17AlFLiN2O
Molecular Weight306.25 g/mol
Exact Mass306.13
IUPAC Namelithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride
SMILESOCc1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1.[AlH3].[H-].[Li+]
InChIInChI=1S/C16H13FN2O.Al.Li.4H/c17-13-3-1-11(2-4-13)14-9-19-15(10-20)16(14)12-5-7-18-8-6-12;;;;;;/h1-9,19-20H,10H2;;;;;;/q;;+1;;;;-1
InChIKeyKTXMXQRKYABNEM-UHFFFAOYSA-N
XLogP-0.69
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride?
The IUPAC name of lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride (CID 158782933) is lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride.
What is the SMILES notation for lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride?
The canonical SMILES for lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride is OCc1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride?
The InChIKey is KTXMXQRKYABNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O.Al.Li.4H/c17-13-3-1-11(2-4-13)14-9-19-15(10-20)16(14)12-5-7-18-8-6-12;;;;;;/h1-9,19-20H,10H2;;;;;;/q;;+1;;;;-1.
What are the key properties of lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride?
lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride has a molecular weight of 306.25 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methanol;hydride is sourced from PubChem (CID 158782933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).