5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine

C20H27F3N2 — CID 139453629

IUPAC5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine
SMILESC/C=C(\N1C=C(C2=C(C(C)CC)N(C)CC=C2)C=CC1C)C(F)(F)F
InChIInChI=1S/C20H27F3N2/c1-6-14(3)19-17(9-8-12-24(19)5)16-11-10-15(4)25(13-16)18(7-2)20(21,22)23/h7-11,13-15H,6,12H2,1-5H3/b18-7-
InChIKeyYFYRMFOWDPNQQK-WSVATBPTSA-N
MW352.44 g/mol
LogP5.40
Rot. Bonds4

About 5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine

5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine (PubChem CID 139453629) has the molecular formula C20H27F3N2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine.

Molecular Properties

Compound Name5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine
PubChem CID139453629
Molecular FormulaC20H27F3N2
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Name5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine
SMILESC/C=C(\N1C=C(C2=C(C(C)CC)N(C)CC=C2)C=CC1C)C(F)(F)F
InChIInChI=1S/C20H27F3N2/c1-6-14(3)19-17(9-8-12-24(19)5)16-11-10-15(4)25(13-16)18(7-2)20(21,22)23/h7-11,13-15H,6,12H2,1-5H3/b18-7-
InChIKeyYFYRMFOWDPNQQK-WSVATBPTSA-N
XLogP5.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine with MolForge

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Launch Full Analysis

Related Compounds

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CID 70193592
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
N,N,N'-trimethyl-N'-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
CID 123566839
1,2,4,4-Tetramethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-3-(3,3,3-trifluoroprop-1-en-2-yl)-2,3-dihydropyridin-1-ium
CID 123826438
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
(E)-1-N-ethenyl-2-N-hexa-1,5-dien-2-yl-1-N-[[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]prop-1-ene-1,2-diamine
CID 134525402
3-methyl-N-prop-2-enyl-N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]butan-1-amine
CID 138519067
1,2-Dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline
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N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
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Frequently Asked Questions

What is the IUPAC name of 5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine?
The IUPAC name of 5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine (CID 139453629) is 5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine.
What is the SMILES notation for 5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine?
The canonical SMILES for 5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine is C/C=C(\N1C=C(C2=C(C(C)CC)N(C)CC=C2)C=CC1C)C(F)(F)F.
What is the InChIKey of 5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine?
The InChIKey is YFYRMFOWDPNQQK-WSVATBPTSA-N. The full InChI is InChI=1S/C20H27F3N2/c1-6-14(3)19-17(9-8-12-24(19)5)16-11-10-15(4)25(13-16)18(7-2)20(21,22)23/h7-11,13-15H,6,12H2,1-5H3/b18-7-.
What are the key properties of 5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine?
5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine has a molecular weight of 352.44 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine is sourced from PubChem (CID 139453629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).