2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine)

C48H44Cl3F15N10O — CID 157413947

About 2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine)

2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine) (PubChem CID 157413947) has the molecular formula C48H44Cl3F15N10O and a molecular weight of 1168.28 g/mol. Its IUPAC name is 2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine).

Molecular Properties

• Compound Name: 2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine)
• PubChem CID: 157413947
• Molecular Formula: C48H44Cl3F15N10O
• Molecular Weight: 1168.28 g/mol
• Exact Mass: 1166.25
• IUPAC Name: 2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine)
• SMILES: Cc1cccn1Cl.Cc1cccnc1Cl.Cc1ccncc1C(F)(F)F.Cc1ccoc1Cl.Cc1cnccc1C(F)(F)F.Cc1cncnc1C(F)(F)F.Cc1cncnc1C(F)(F)F.Cc1nnccc1C(F)(F)F
• InChI: InChI=1S/2C7H6F3N.C6H6ClN.3C6H5F3N2.C5H6ClN.C5H5ClO/c1-5-4-11-3-2-6(5)7(8,9)10;1-5-2-3-11-4-6(5)7(8,9)10;1-5-3-2-4-8-6(5)7;2*1-4-2-10-3-11-5(4)6(7,8)9;1-4-5(6(7,8)9)2-3-10-11-4;1-5-3-2-4-7(5)6;1-4-2-3-7-5(4)6/h2*2-4H,1H3;2-4H,1H3;3*2-3H,1H3;2-4H,1H3;2-3H,1H3
• InChIKey: BOPQRLGZSDUSQY-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 134.08 Ų
• H-Bond Acceptors: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.28
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine)?

The IUPAC name of 2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine) (CID 157413947) is 2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine).

What is the SMILES notation for 2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine)?

The canonical SMILES for 2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine) is Cc1cccn1Cl.Cc1cccnc1Cl.Cc1ccncc1C(F)(F)F.Cc1ccoc1Cl.Cc1cnccc1C(F)(F)F.Cc1cncnc1C(F)(F)F.Cc1cncnc1C(F)(F)F.Cc1nnccc1C(F)(F)F.

What is the InChIKey of 2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine)?

The InChIKey is BOPQRLGZSDUSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6F3N.C6H6ClN.3C6H5F3N2.C5H6ClN.C5H5ClO/c1-5-4-11-3-2-6(5)7(8,9)10;1-5-2-3-11-4-6(5)7(8,9)10;1-5-3-2-4-8-6(5)7;2*1-4-2-10-3-11-5(4)6(7,8)9;1-4-5(6(7,8)9)2-3-10-11-4;1-5-3-2-4-7(5)6;1-4-2-3-7-5(4)6/h2*2-4H,1H3;2-4H,1H3;3*2-3H,1H3;2-4H,1H3;2-3H,1H3.

What are the key properties of 2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine)?

2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine) has a molecular weight of 1168.28 g/mol, XLogP of 16.31, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine) is sourced from PubChem (CID 157413947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).