1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine

C119H102Cl2F12N10O4 — CID 159706875

IUPAC1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(F)ccc2C)cn1.COc1ccncc1-c1cc(F)ccc1C.COc1cncc(-c2cc(F)ccc2C)c1.COc1ncccc1-c1cc(F)ccc1C.Cc1ccc(F)cc1-c1cccnc1C.Cc1ccc(F)cc1-c1cccnc1C(F)(F)F.Cc1ccc(F)cc1-c1cccnc1Cl.Cc1ccc(F)cc1-c1cnccc1Cl.Cc1ccc(F)cc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H15FN2.C13H9F4N.4C13H12FNO.C13H12FN.2C12H9ClFN/c1-13-7-8-16(18)9-17(13)15-10-19-20(12-15)11-14-5-3-2-4-6-14;1-8-4-5-9(14)7-11(8)10-3-2-6-18-12(10)13(15,16)17;1-9-3-5-11(14)7-12(9)10-4-6-13(16-2)15-8-10;1-9-3-4-11(14)6-13(9)10-5-12(16-2)8-15-7-10;1-9-3-4-10(14)7-11(9)12-8-15-6-5-13(12)16-2;1-9-5-6-10(14)8-12(9)11-4-3-7-15-13(11)16-2;1-9-5-6-11(14)8-13(9)12-4-3-7-15-10(12)2;1-8-2-3-9(14)6-10(8)11-7-15-5-4-12(11)13;1-8-4-5-9(14)7-11(8)10-3-2-6-15-12(10)13/h2-10,12H,11H2,1H3;2-7H,1H3;4*3-8H,1-2H3;3-8H,1-2H3;2*2-7H,1H3
InChIKeyMYHZTRVAWXNYBF-UHFFFAOYSA-N
MW2035.07 g/mol
LogP32.28
Rot. Bonds15

About 1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine

1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine (PubChem CID 159706875) has the molecular formula C119H102Cl2F12N10O4 and a molecular weight of 2035.07 g/mol. Its IUPAC name is 1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine
PubChem CID159706875
Molecular FormulaC119H102Cl2F12N10O4
Molecular Weight2035.07 g/mol
Exact Mass2032.73
IUPAC Name1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(F)ccc2C)cn1.COc1ccncc1-c1cc(F)ccc1C.COc1cncc(-c2cc(F)ccc2C)c1.COc1ncccc1-c1cc(F)ccc1C.Cc1ccc(F)cc1-c1cccnc1C.Cc1ccc(F)cc1-c1cccnc1C(F)(F)F.Cc1ccc(F)cc1-c1cccnc1Cl.Cc1ccc(F)cc1-c1cnccc1Cl.Cc1ccc(F)cc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H15FN2.C13H9F4N.4C13H12FNO.C13H12FN.2C12H9ClFN/c1-13-7-8-16(18)9-17(13)15-10-19-20(12-15)11-14-5-3-2-4-6-14;1-8-4-5-9(14)7-11(8)10-3-2-6-18-12(10)13(15,16)17;1-9-3-5-11(14)7-12(9)10-4-6-13(16-2)15-8-10;1-9-3-4-11(14)6-13(9)10-5-12(16-2)8-15-7-10;1-9-3-4-10(14)7-11(9)12-8-15-6-5-13(12)16-2;1-9-5-6-10(14)8-12(9)11-4-3-7-15-13(11)16-2;1-9-5-6-11(14)8-13(9)12-4-3-7-15-10(12)2;1-8-2-3-9(14)6-10(8)11-7-15-5-4-12(11)13;1-8-4-5-9(14)7-11(8)10-3-2-6-15-12(10)13/h2-10,12H,11H2,1H3;2-7H,1H3;4*3-8H,1-2H3;3-8H,1-2H3;2*2-7H,1H3
InChIKeyMYHZTRVAWXNYBF-UHFFFAOYSA-N
XLogP32.28
TPSA157.86 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002035.07
LogP ≤ 532.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine (CID 159706875) is 1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine is COc1ccc(-c2cc(F)ccc2C)cn1.COc1ccncc1-c1cc(F)ccc1C.COc1cncc(-c2cc(F)ccc2C)c1.COc1ncccc1-c1cc(F)ccc1C.Cc1ccc(F)cc1-c1cccnc1C.Cc1ccc(F)cc1-c1cccnc1C(F)(F)F.Cc1ccc(F)cc1-c1cccnc1Cl.Cc1ccc(F)cc1-c1cnccc1Cl.Cc1ccc(F)cc1-c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine?
The InChIKey is MYHZTRVAWXNYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2.C13H9F4N.4C13H12FNO.C13H12FN.2C12H9ClFN/c1-13-7-8-16(18)9-17(13)15-10-19-20(12-15)11-14-5-3-2-4-6-14;1-8-4-5-9(14)7-11(8)10-3-2-6-18-12(10)13(15,16)17;1-9-3-5-11(14)7-12(9)10-4-6-13(16-2)15-8-10;1-9-3-4-11(14)6-13(9)10-5-12(16-2)8-15-7-10;1-9-3-4-10(14)7-11(9)12-8-15-6-5-13(12)16-2;1-9-5-6-10(14)8-12(9)11-4-3-7-15-13(11)16-2;1-9-5-6-11(14)8-13(9)12-4-3-7-15-10(12)2;1-8-2-3-9(14)6-10(8)11-7-15-5-4-12(11)13;1-8-4-5-9(14)7-11(8)10-3-2-6-15-12(10)13/h2-10,12H,11H2,1H3;2-7H,1H3;4*3-8H,1-2H3;3-8H,1-2H3;2*2-7H,1H3.
What are the key properties of 1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine?
1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine has a molecular weight of 2035.07 g/mol, XLogP of 32.28, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-fluoro-2-methylphenyl)pyrazole;2-chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-4-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159706875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).