8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile

C17H9ClFNO2 — CID 10215058

IUPAC8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)c(Cl)c12
InChIInChI=1S/C17H9ClFNO2/c18-17-15(22)4-2-10-5-11(6-12(8-20)16(10)17)9-1-3-14(21)13(19)7-9/h1-7,21-22H
InChIKeyDGVWRZXKKCDNLS-UHFFFAOYSA-N
MW313.72 g/mol
LogP4.58
Rot. Bonds1

About 8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile

8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile (PubChem CID 10215058) has the molecular formula C17H9ClFNO2 and a molecular weight of 313.72 g/mol. Its IUPAC name is 8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
PubChem CID10215058
Molecular FormulaC17H9ClFNO2
Molecular Weight313.72 g/mol
Exact Mass313.03
IUPAC Name8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)c(Cl)c12
InChIInChI=1S/C17H9ClFNO2/c18-17-15(22)4-2-10-5-11(6-12(8-20)16(10)17)9-1-3-14(21)13(19)7-9/h1-7,21-22H
InChIKeyDGVWRZXKKCDNLS-UHFFFAOYSA-N
XLogP4.58
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The IUPAC name of 8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile (CID 10215058) is 8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile.
What is the SMILES notation for 8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The canonical SMILES for 8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile is N#Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)c(Cl)c12.
What is the InChIKey of 8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The InChIKey is DGVWRZXKKCDNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClFNO2/c18-17-15(22)4-2-10-5-11(6-12(8-20)16(10)17)9-1-3-14(21)13(19)7-9/h1-7,21-22H.
What are the key properties of 8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile has a molecular weight of 313.72 g/mol, XLogP of 4.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile is sourced from PubChem (CID 10215058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).