ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate

C21H21F2NO4 — CID 166521132

IUPACethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(/C=C/c2ccc(OC(F)F)c(OCC3CC3)c2)n1
InChIInChI=1S/C21H21F2NO4/c1-2-26-20(25)17-5-3-4-16(24-17)10-8-14-9-11-18(28-21(22)23)19(12-14)27-13-15-6-7-15/h3-5,8-12,15,21H,2,6-7,13H2,1H3/b10-8+
InChIKeyFGMQZUUCMIBDFL-CSKARUKUSA-N
MW389.40 g/mol
LogP4.82
Rot. Bonds9

About ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate

ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate (PubChem CID 166521132) has the molecular formula C21H21F2NO4 and a molecular weight of 389.40 g/mol. Its IUPAC name is ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate
PubChem CID166521132
Molecular FormulaC21H21F2NO4
Molecular Weight389.40 g/mol
Exact Mass389.14
IUPAC Nameethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(/C=C/c2ccc(OC(F)F)c(OCC3CC3)c2)n1
InChIInChI=1S/C21H21F2NO4/c1-2-26-20(25)17-5-3-4-16(24-17)10-8-14-9-11-18(28-21(22)23)19(12-14)27-13-15-6-7-15/h3-5,8-12,15,21H,2,6-7,13H2,1H3/b10-8+
InChIKeyFGMQZUUCMIBDFL-CSKARUKUSA-N
XLogP4.82
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate with MolForge

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Related Compounds

3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]benzoic acid
CID 175575580
N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide
CID 169091031
7-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2,3-dihydroinden-1-one
CID 175575581
1-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 153354113
3-benzyl-6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyrimidin-4-one
CID 169091028
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
ethyl 6-(4-ethoxy-4-oxobut-1-enyl)pyridine-2-carboxylate
CID 170796783
1-benzyl-5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-3-methylpyridin-2-one
CID 169091033
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426
3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enal
CID 79332023
methyl (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoate
CID 71628157
ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate
CID 169091022

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate (CID 166521132) is ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(/C=C/c2ccc(OC(F)F)c(OCC3CC3)c2)n1.
What is the InChIKey of ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate?
The InChIKey is FGMQZUUCMIBDFL-CSKARUKUSA-N. The full InChI is InChI=1S/C21H21F2NO4/c1-2-26-20(25)17-5-3-4-16(24-17)10-8-14-9-11-18(28-21(22)23)19(12-14)27-13-15-6-7-15/h3-5,8-12,15,21H,2,6-7,13H2,1H3/b10-8+.
What are the key properties of ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate?
ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate has a molecular weight of 389.40 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate is sourced from PubChem (CID 166521132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).