(6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane

C55H42Cl3F4N9O4S — CID 161194250

About (6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane

(6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane (PubChem CID 161194250) has the molecular formula C55H42Cl3F4N9O4S and a molecular weight of 1107.42 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane.

Molecular Properties

• Compound Name: (6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane
• PubChem CID: 161194250
• Molecular Formula: C55H42Cl3F4N9O4S
• Molecular Weight: 1107.42 g/mol
• Exact Mass: 1105.21
• IUPAC Name: (6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane
• SMILES: C.N#Cc1cc(-c2ccc(F)cc2)c(F)cn1.N#Cc1cc(-c2ccc(F)cc2)c(OCc2ccc(Cl)nc2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c(OCc2ccc(Cl)nc2)cn1.OCc1ccc(Cl)nc1.S
• InChI: InChI=1S/C18H13ClFN3O2.C18H11ClFN3O.C12H6F2N2.C6H6ClNO.CH4.H2S/c19-17-6-1-11(8-23-17)10-25-16-9-22-15(18(21)24)7-14(16)12-2-4-13(20)5-3-12;19-18-6-1-12(9-23-18)11-24-17-10-22-15(8-21)7-16(17)13-2-4-14(20)5-3-13;13-9-3-1-8(2-4-9)11-5-10(6-15)16-7-12(11)14;7-6-2-1-5(4-9)3-8-6;;/h1-9H,10H2,(H2,21,24);1-7,9-10H,11H2;1-5,7H;1-3,9H,4H2;1H4;1H2
• InChIKey: UUDFYABQXPHDRU-UHFFFAOYSA-N
• XLogP: 12.88
• TPSA: 206.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1107.42
LogP ≤ 5	12.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane?

The IUPAC name of (6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane (CID 161194250) is (6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane.

What is the SMILES notation for (6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane?

The canonical SMILES for (6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane is C.N#Cc1cc(-c2ccc(F)cc2)c(F)cn1.N#Cc1cc(-c2ccc(F)cc2)c(OCc2ccc(Cl)nc2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c(OCc2ccc(Cl)nc2)cn1.OCc1ccc(Cl)nc1.S.

What is the InChIKey of (6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane?

The InChIKey is UUDFYABQXPHDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2.C18H11ClFN3O.C12H6F2N2.C6H6ClNO.CH4.H2S/c19-17-6-1-11(8-23-17)10-25-16-9-22-15(18(21)24)7-14(16)12-2-4-13(20)5-3-12;19-18-6-1-12(9-23-18)11-24-17-10-22-15(8-21)7-16(17)13-2-4-14(20)5-3-13;13-9-3-1-8(2-4-9)11-5-10(6-15)16-7-12(11)14;7-6-2-1-5(4-9)3-8-6;;/h1-9H,10H2,(H2,21,24);1-7,9-10H,11H2;1-5,7H;1-3,9H,4H2;1H4;1H2.

What are the key properties of (6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane?

(6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane has a molecular weight of 1107.42 g/mol, XLogP of 12.88, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloro-3-pyridinyl)methanol;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile;5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;methane;sulfane is sourced from PubChem (CID 161194250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).