2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride

C37H35Cl3F4N18O8Si — CID 161011928

IUPAC2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride
SMILESCOC(=O)c1cc(F)cnc1-n1nccn1.C[Si](C)(C)C=[N+]=[N-].Cl.Cl.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.C4H10N2Si.C2H3N3.2ClH/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;;/h2-5H,1H3;2*1-4H,(H,14,15);1-2H,(H,10,11);4H,1-3H3;1-2H,(H,3,4,5);2*1H
InChIKeyVPFVDQMPPVRBOH-UHFFFAOYSA-N
MW1070.24 g/mol
LogP4.97
Rot. Bonds8

About 2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride

2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride (PubChem CID 161011928) has the molecular formula C37H35Cl3F4N18O8Si and a molecular weight of 1070.24 g/mol. Its IUPAC name is 2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride.

Molecular Properties

Compound Name2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride
PubChem CID161011928
Molecular FormulaC37H35Cl3F4N18O8Si
Molecular Weight1070.24 g/mol
Exact Mass1068.17
IUPAC Name2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride
SMILESCOC(=O)c1cc(F)cnc1-n1nccn1.C[Si](C)(C)C=[N+]=[N-].Cl.Cl.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.C4H10N2Si.C2H3N3.2ClH/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;;/h2-5H,1H3;2*1-4H,(H,14,15);1-2H,(H,10,11);4H,1-3H3;1-2H,(H,3,4,5);2*1H
InChIKeyVPFVDQMPPVRBOH-UHFFFAOYSA-N
XLogP4.97
TPSA359.86 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.24
LogP ≤ 54.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-3-(difluoromethyl)pyridine;5-bromo-2-chloropyridine-3-carbaldehyde;5-bromo-3-(difluoromethyl)-2-(triazol-1-yl)pyridine;5-bromo-3-(difluoromethyl)-2-(triazol-2-yl)pyridine;3-(difluoromethyl)-5-methyl-2-(triazol-1-yl)pyridine;3-(difluoromethyl)-5-methyl-2-(triazol-2-yl)pyridine;5-(difluoromethyl)-6-(triazol-1-yl)pyridin-3-amine;5-(difluoromethyl)-6-(triazol-2-yl)pyridin-3-amine;methane;methyl 5-bromo-2-chloropyridine-3-carboxylate;2H-triazole
CID 157678096
Methyl 2-chloro-5-fluoro-6-(triazol-1-yl)pyridine-3-carboxylate;methyl 2-chloro-5-fluoro-6-(triazol-2-yl)pyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-(triazol-1-yl)pyridine-3-carboxylate;methyl 5-fluoro-6-(triazol-2-yl)pyridine-3-carboxylate
CID 157921575
tert-butyl N-[5-fluoro-6-(triazol-1-yl)-3-pyridinyl]carbamate;5-fluoro-6-(triazol-1-yl)pyridin-3-amine;5-fluoro-6-(triazol-1-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-6-(triazol-1-yl)pyridine-3-carboxylate
CID 158354157
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
tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate
CID 160911760
tert-butyl N-[5-fluoro-6-(triazol-2-yl)-3-pyridinyl]carbamate;5-fluoro-6-(triazol-2-yl)pyridin-3-amine;5-fluoro-6-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-6-(triazol-2-yl)pyridine-3-carboxylate
CID 161044478
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(2-methylpropylidene)azanium;methane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride
CID 161776119

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride?
The IUPAC name of 2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride (CID 161011928) is 2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride.
What is the SMILES notation for 2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride?
The canonical SMILES for 2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride is COC(=O)c1cc(F)cnc1-n1nccn1.C[Si](C)(C)C=[N+]=[N-].Cl.Cl.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;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride?
The InChIKey is VPFVDQMPPVRBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2.2C8H5FN4O2.C6H3ClFNO2.C4H10N2Si.C2H3N3.2ClH/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;;/h2-5H,1H3;2*1-4H,(H,14,15);1-2H,(H,10,11);4H,1-3H3;1-2H,(H,3,4,5);2*1H.
What are the key properties of 2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride?
2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride has a molecular weight of 1070.24 g/mol, XLogP of 4.97, 8 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride is sourced from PubChem (CID 161011928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).