4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid

C25H23ClF2N2O3 — CID 136607305

IUPAC4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNc2cc(-c3c(F)cccc3Cl)cc(-c3cc(F)ccc3O)n2)CC1
InChIInChI=1S/C25H23ClF2N2O3/c26-19-2-1-3-20(28)24(19)16-10-21(18-12-17(27)8-9-22(18)31)30-23(11-16)29-13-14-4-6-15(7-5-14)25(32)33/h1-3,8-12,14-15,31H,4-7,13H2,(H,29,30)(H,32,33)
InChIKeyYJQFRDRQXISAQY-UHFFFAOYSA-N
MW472.92 g/mol
LogP6.36
Rot. Bonds6

About 4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 136607305) has the molecular formula C25H23ClF2N2O3 and a molecular weight of 472.92 g/mol. Its IUPAC name is 4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID136607305
Molecular FormulaC25H23ClF2N2O3
Molecular Weight472.92 g/mol
Exact Mass472.14
IUPAC Name4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNc2cc(-c3c(F)cccc3Cl)cc(-c3cc(F)ccc3O)n2)CC1
InChIInChI=1S/C25H23ClF2N2O3/c26-19-2-1-3-20(28)24(19)16-10-21(18-12-17(27)8-9-22(18)31)30-23(11-16)29-13-14-4-6-15(7-5-14)25(32)33/h1-3,8-12,14-15,31H,4-7,13H2,(H,29,30)(H,32,33)
InChIKeyYJQFRDRQXISAQY-UHFFFAOYSA-N
XLogP6.36
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.92
LogP ≤ 56.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[5-Amino-6-[(2-chloro-3,6-difluorophenyl)methylamino]-2-pyridinyl]-2,6-difluorobenzoic acid
CID 70669471
4-[[[4-(2,6-Difluorophenyl)-6-(2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 135532823
4-[[[4-(2-Fluorophenyl)-6-(2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 135544085
4-[[[4-(2-Fluorophenyl)-6-(2-hydroxyphenyl)pyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 135772733
4-[[[4-(2,6-Difluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 136153760
4-[[[4-(2,3-Difluorophenyl)-6-(2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 136153763
4-[[[4-[2-(Difluoromethoxy)phenyl]-6-(2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 136268902
2-[6-(Cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol
CID 136607303
4-[[[6-(5-Fluoro-2-hydroxyphenyl)-4-(2-methylphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 136607306
methyl (3S)-3-(3-fluoro-4-hydroxyphenyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate
CID 154643164
4-[[4-(2,5-Difluorophenyl)-6-(3-hydroxyphenyl)-2-pyridinyl]amino]butanoic acid
CID 134092149
3-[[4-(2,5-Difluorophenyl)-6-(3-hydroxyphenyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 134092160

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 136607305) is 4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNc2cc(-c3c(F)cccc3Cl)cc(-c3cc(F)ccc3O)n2)CC1.
What is the InChIKey of 4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YJQFRDRQXISAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF2N2O3/c26-19-2-1-3-20(28)24(19)16-10-21(18-12-17(27)8-9-22(18)31)30-23(11-16)29-13-14-4-6-15(7-5-14)25(32)33/h1-3,8-12,14-15,31H,4-7,13H2,(H,29,30)(H,32,33).
What are the key properties of 4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 472.92 g/mol, XLogP of 6.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(2-chloro-6-fluorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 136607305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).