2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine

C34H30BF7N8O2 — CID 157116497

IUPAC2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
SMILESCC1(C)OB(c2cnn(-c3cccnc3)c2)OC1(C)C.FC(F)(F)c1cccc(-c2cnn(-c3cccnc3)c2)n1.Fc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H18BN3O2.C14H9F3N4.C6H3F4N/c1-13(2)14(3,4)20-15(19-13)11-8-17-18(10-11)12-6-5-7-16-9-12;15-14(16,17)13-5-1-4-12(20-13)10-7-19-21(9-10)11-3-2-6-18-8-11;7-5-3-1-2-4(11-5)6(8,9)10/h5-10H,1-4H3;1-9H;1-3H
InChIKeyAHLVELCIUFQVOO-UHFFFAOYSA-N
MW726.47 g/mol
LogP7.15
Rot. Bonds4

About 2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine

2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine (PubChem CID 157116497) has the molecular formula C34H30BF7N8O2 and a molecular weight of 726.47 g/mol. Its IUPAC name is 2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
PubChem CID157116497
Molecular FormulaC34H30BF7N8O2
Molecular Weight726.47 g/mol
Exact Mass726.25
IUPAC Name2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
SMILESCC1(C)OB(c2cnn(-c3cccnc3)c2)OC1(C)C.FC(F)(F)c1cccc(-c2cnn(-c3cccnc3)c2)n1.Fc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H18BN3O2.C14H9F3N4.C6H3F4N/c1-13(2)14(3,4)20-15(19-13)11-8-17-18(10-11)12-6-5-7-16-9-12;15-14(16,17)13-5-1-4-12(20-13)10-7-19-21(9-10)11-3-2-6-18-8-11;7-5-3-1-2-4(11-5)6(8,9)10/h5-10H,1-4H3;1-9H;1-3H
InChIKeyAHLVELCIUFQVOO-UHFFFAOYSA-N
XLogP7.15
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.47
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-Difluoro-2-pyridinyl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine;2-[4-fluoro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 87418475
1-[(4,4-Difluorocyclohexyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 90426500
N-[6-[1-[2-[4-[4-[5-(cyclopentylamino)pyridin-2-yl]pyrazol-1-yl]-6-propylpyridin-2-yl]-6-propylpyridin-4-yl]pyrazol-4-yl]pyridin-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 138627186
6-fluoro-N-[2-[3-fluoro-5-[[6-fluoro-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-methylpyrazolo[4,3-b]pyridin-7-amine
CID 144282560
2-Bromo-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
CID 157286556
3-(4-Iodopyrazol-1-yl)pyridine;5-(1-pyridin-3-ylpyrazol-4-yl)-2-(trifluoromethyl)pyridine;[6-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 158834575
2-Bromo-6-(trifluoromethyl)pyridine;3-fluoro-5-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine;2-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-6-(trifluoromethyl)pyridine
CID 159552728
2-chloro-5-(trifluoromethyl)pyridine;4-isocyano-N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline;4-isocyano-N-methyl-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline;methane
CID 159795205
[6-[1-[4-(3-Methyltriazol-4-yl)pyrazol-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]boronic acid
CID 167421694
[6-[2-[1-(Difluoromethyl)pyrazol-3-yl]-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]-3-pyridinyl]boronic acid
CID 167422000
[6-[2-[1-(Difluoromethyl)pyrazol-3-yl]-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]-3-pyridinyl]boronic acid
CID 167422023
[6-[2-[1-(Difluoromethyl)pyrazol-4-yl]-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]-3-pyridinyl]boronic acid
CID 167422747

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine?
The IUPAC name of 2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine (CID 157116497) is 2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine?
The canonical SMILES for 2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine is CC1(C)OB(c2cnn(-c3cccnc3)c2)OC1(C)C.FC(F)(F)c1cccc(-c2cnn(-c3cccnc3)c2)n1.Fc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine?
The InChIKey is AHLVELCIUFQVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BN3O2.C14H9F3N4.C6H3F4N/c1-13(2)14(3,4)20-15(19-13)11-8-17-18(10-11)12-6-5-7-16-9-12;15-14(16,17)13-5-1-4-12(20-13)10-7-19-21(9-10)11-3-2-6-18-8-11;7-5-3-1-2-4(11-5)6(8,9)10/h5-10H,1-4H3;1-9H;1-3H.
What are the key properties of 2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine?
2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine has a molecular weight of 726.47 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 157116497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).