5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile

C21H17F2N3O2 — CID 151067245

IUPAC5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile
SMILESCCOc1ccc(Cc2ccc(C#N)nc2)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C21H17F2N3O2/c1-2-27-19-9-8-16(10-14-6-7-17(12-24)25-13-14)26-20(19)15-4-3-5-18(11-15)28-21(22)23/h3-9,11,13,21H,2,10H2,1H3
InChIKeyMHJPVWMRGOZYRE-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.61
Rot. Bonds7

About 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile

5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile (PubChem CID 151067245) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile
PubChem CID151067245
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile
SMILESCCOc1ccc(Cc2ccc(C#N)nc2)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C21H17F2N3O2/c1-2-27-19-9-8-16(10-14-6-7-17(12-24)25-13-14)26-20(19)15-4-3-5-18(11-15)28-21(22)23/h3-9,11,13,21H,2,10H2,1H3
InChIKeyMHJPVWMRGOZYRE-UHFFFAOYSA-N
XLogP4.61
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide
CID 150776711
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide
CID 90415233
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyridin-1-ium-2-yl]methyl]pyrimidine-2-carboxamide
CID 150776710
5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide
CID 90415667
[1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol
CID 90416407
2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396261
acetylene;2-[(Z)-1-[5-(difluoromethoxy)-6-[3-(difluoromethoxy)phenyl]-2-pyridinyl]but-2-en-2-yl]sulfanylprop-2-en-1-ol
CID 178019784
[1-[[5-[3-(difluoromethoxy)phenyl]-6-ethoxy-3-pyridinyl]methyl]-1,2,4-triazol-3-yl]methanol
CID 90414911
3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine
CID 90416004
5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine
CID 123507437
5-[1-[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]ethyl]-1H-1,2,4-triazole-3-carboxylic acid
CID 175132074
4-ethoxy-5-phenoxypyridine-2-carbonitrile
CID 138674806

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile (CID 151067245) is 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile is CCOc1ccc(Cc2ccc(C#N)nc2)nc1-c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile?
The InChIKey is MHJPVWMRGOZYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c1-2-27-19-9-8-16(10-14-6-7-17(12-24)25-13-14)26-20(19)15-4-3-5-18(11-15)28-21(22)23/h3-9,11,13,21H,2,10H2,1H3.
What are the key properties of 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile?
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile has a molecular weight of 381.38 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 151067245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).