2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole

C39H40ClF4I2N18O8Si+ — CID 158366891

IUPAC2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole
SMILESCI.CI.COC(=O)c1cc(F)cnc1-n1nccn1.C[Si](C)(C)C=[N+]=N.O=C(O)c1cc(F)cnc1-n1ccnn1.O=C(O)c1cc(F)cnc1-n1nccn1.O=C(O)c1cc(F)cnc1Cl.c1cn[nH]n1
InChIInChI=1S/C9H7FN4O2.2C8H5FN4O2.C6H3ClFNO2.C4H11N2Si.C2H3N3.2CH3I/c1-16-9(15)7-4-6(10)5-11-8(7)14-12-2-3-13-14;9-5-3-6(8(14)15)7(10-4-5)13-2-1-11-12-13;9-5-3-6(8(14)15)7(10-4-5)13-11-1-2-12-13;7-5-4(6(10)11)1-3(8)2-9-5;1-7(2,3)4-6-5;1-2-4-5-3-1;2*1-2/h2-5H,1H3;2*1-4H,(H,14,15);1-2H,(H,10,11);4-5H,1-3H3;1-2H,(H,3,4,5);2*1H3/q;;;;+1;;;
InChIKeyGUDHFZLHVWLAPX-UHFFFAOYSA-N
MW1282.21 g/mol
LogP6.24
Rot. Bonds8

About 2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole

2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole (PubChem CID 158366891) has the molecular formula C39H40ClF4I2N18O8Si+ and a molecular weight of 1282.21 g/mol. Its IUPAC name is 2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole.

Molecular Properties

Compound Name2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole
PubChem CID158366891
Molecular FormulaC39H40ClF4I2N18O8Si+
Molecular Weight1282.21 g/mol
Exact Mass1281.08
IUPAC Name2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole
SMILESCI.CI.COC(=O)c1cc(F)cnc1-n1nccn1.C[Si](C)(C)C=[N+]=N.O=C(O)c1cc(F)cnc1-n1ccnn1.O=C(O)c1cc(F)cnc1-n1nccn1.O=C(O)c1cc(F)cnc1Cl.c1cn[nH]n1
InChIInChI=1S/C9H7FN4O2.2C8H5FN4O2.C6H3ClFNO2.C4H11N2Si.C2H3N3.2CH3I/c1-16-9(15)7-4-6(10)5-11-8(7)14-12-2-3-13-14;9-5-3-6(8(14)15)7(10-4-5)13-2-1-11-12-13;9-5-3-6(8(14)15)7(10-4-5)13-11-1-2-12-13;7-5-4(6(10)11)1-3(8)2-9-5;1-7(2,3)4-6-5;1-2-4-5-3-1;2*1-2/h2-5H,1H3;2*1-4H,(H,14,15);1-2H,(H,10,11);4-5H,1-3H3;1-2H,(H,3,4,5);2*1H3/q;;;;+1;;;
InChIKeyGUDHFZLHVWLAPX-UHFFFAOYSA-N
XLogP6.24
TPSA361.41 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001282.21
LogP ≤ 56.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole with MolForge

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Related Compounds

2-chloro-5-methylpyridine-3-carboxylic acid;methyl 2-chloro-5-methylpyridine-3-carboxylate
CID 159563322
propyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103881060
3-(6-chloro-5-methoxycarbonyl-3-pyridinyl)prop-2-enoic acid
CID 169460837
amino 2-chloro-5-fluoropyridine-3-carboxylate
CID 134381253
2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103885347
1-chloropentyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 175533602
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
6-chloro-5-methoxycarbonylpyridine-3-sulfinic acid
CID 165449291
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103892342
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034158
3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 114035411

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole?
The IUPAC name of 2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole (CID 158366891) is 2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole.
What is the SMILES notation for 2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole?
The canonical SMILES for 2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole is CI.CI.COC(=O)c1cc(F)cnc1-n1nccn1.C[Si](C)(C)C=[N+]=N.O=C(O)c1cc(F)cnc1-n1ccnn1.O=C(O)c1cc(F)cnc1-n1nccn1.O=C(O)c1cc(F)cnc1Cl.c1cn[nH]n1.
What is the InChIKey of 2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole?
The InChIKey is GUDHFZLHVWLAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2.2C8H5FN4O2.C6H3ClFNO2.C4H11N2Si.C2H3N3.2CH3I/c1-16-9(15)7-4-6(10)5-11-8(7)14-12-2-3-13-14;9-5-3-6(8(14)15)7(10-4-5)13-2-1-11-12-13;9-5-3-6(8(14)15)7(10-4-5)13-11-1-2-12-13;7-5-4(6(10)11)1-3(8)2-9-5;1-7(2,3)4-6-5;1-2-4-5-3-1;2*1-2/h2-5H,1H3;2*1-4H,(H,14,15);1-2H,(H,10,11);4-5H,1-3H3;1-2H,(H,3,4,5);2*1H3/q;;;;+1;;;.
What are the key properties of 2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole?
2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole has a molecular weight of 1282.21 g/mol, XLogP of 6.24, 8 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole is sourced from PubChem (CID 158366891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).