methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate

C21H23ClFNO3 — CID 155190470

IUPACmethyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1
InChIInChI=1S/C21H23ClFNO3/c1-26-21(25)11-14-5-7-15(8-6-14)19-3-2-4-20(24-19)27-13-16-9-10-17(22)12-18(16)23/h2-4,9-10,12,14-15H,5-8,11,13H2,1H3
InChIKeyHSXNYMSCKRKNFR-UHFFFAOYSA-N
MW391.87 g/mol
LogP5.29
Rot. Bonds6

About methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate

methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate (PubChem CID 155190470) has the molecular formula C21H23ClFNO3 and a molecular weight of 391.87 g/mol. Its IUPAC name is methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate
PubChem CID155190470
Molecular FormulaC21H23ClFNO3
Molecular Weight391.87 g/mol
Exact Mass391.14
IUPAC Namemethyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1
InChIInChI=1S/C21H23ClFNO3/c1-26-21(25)11-14-5-7-15(8-6-14)19-3-2-4-20(24-19)27-13-16-9-10-17(22)12-18(16)23/h2-4,9-10,12,14-15H,5-8,11,13H2,1H3
InChIKeyHSXNYMSCKRKNFR-UHFFFAOYSA-N
XLogP5.29
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.87
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate with MolForge

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Related Compounds

N-[6-bromo-4-(methylamino)-3-pyridinyl]-2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]acetamide
CID 140879650
5-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 177190077
(E)-3-[6-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-pyridinyl]prop-2-enoic acid
CID 163644973
(E)-3-[6-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 168817326
(E)-3-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(2-methoxyethyl)imidazol-4-yl]prop-2-enoic acid
CID 168817322
2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine
CID 175266588
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(2R)-1-methoxypropan-2-yl]benzimidazole-5-carboxylic acid
CID 139208629
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole
CID 175799455
CID 174096666
CID 174096666
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxylic acid
CID 139208595
N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]oxetane-2-carboxamide
CID 167010595
3-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl-(2,2-difluoropropyl)amino]-4-methylbenzoic acid
CID 177190219

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate?
The IUPAC name of methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate (CID 155190470) is methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate is COC(=O)CC1CCC(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1.
What is the InChIKey of methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate?
The InChIKey is HSXNYMSCKRKNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO3/c1-26-21(25)11-14-5-7-15(8-6-14)19-3-2-4-20(24-19)27-13-16-9-10-17(22)12-18(16)23/h2-4,9-10,12,14-15H,5-8,11,13H2,1H3.
What are the key properties of methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate?
methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate has a molecular weight of 391.87 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate is sourced from PubChem (CID 155190470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).