5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine

C66H61BBr3Cl2F9N16O7 — CID 167575967

IUPAC5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N[C@H]2CCNC2)nc1.NC(=O)c1cc(-c2ccccc2)cnc1N1CC[C@H](Nc2ccc(C(F)(F)F)cn2)C1.NC(=O)c1cc(Br)cnc1Cl.NC(=O)c1cc(Br)cnc1N1CC[C@H](Nc2ccc(C(F)(F)F)cn2)C1.O=C(O)c1cc(Br)cnc1Cl.OB(O)c1ccccc1
InChIInChI=1S/C22H20F3N5O.C16H15BrF3N5O.C10H12F3N3.C6H7BO2.C6H4BrClN2O.C6H3BrClNO2/c23-22(24,25)16-6-7-19(27-12-16)29-17-8-9-30(13-17)21-18(20(26)31)10-15(11-28-21)14-4-2-1-3-5-14;17-10-5-12(14(21)26)15(23-7-10)25-4-3-11(8-25)24-13-2-1-9(6-22-13)16(18,19)20;11-10(12,13)7-1-2-9(15-5-7)16-8-3-4-14-6-8;8-7(9)6-4-2-1-3-5-6;7-3-1-4(6(9)11)5(8)10-2-3;7-3-1-4(6(10)11)5(8)9-2-3/h1-7,10-12,17H,8-9,13H2,(H2,26,31)(H,27,29);1-2,5-7,11H,3-4,8H2,(H2,21,26)(H,22,24);1-2,5,8,14H,3-4,6H2,(H,15,16);1-5,8-9H;1-2H,(H2,9,11);1-2H,(H,10,11)/t17-;11-;8-;;;/m000.../s1
InChIKeyGNNUYMRSBJUVAL-DKKOENHFSA-N
MW1682.73 g/mol
LogP12.03
Rot. Bonds14

About 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine

5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 167575967) has the molecular formula C66H61BBr3Cl2F9N16O7 and a molecular weight of 1682.73 g/mol. Its IUPAC name is 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID167575967
Molecular FormulaC66H61BBr3Cl2F9N16O7
Molecular Weight1682.73 g/mol
Exact Mass1678.18
IUPAC Name5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N[C@H]2CCNC2)nc1.NC(=O)c1cc(-c2ccccc2)cnc1N1CC[C@H](Nc2ccc(C(F)(F)F)cn2)C1.NC(=O)c1cc(Br)cnc1Cl.NC(=O)c1cc(Br)cnc1N1CC[C@H](Nc2ccc(C(F)(F)F)cn2)C1.O=C(O)c1cc(Br)cnc1Cl.OB(O)c1ccccc1
InChIInChI=1S/C22H20F3N5O.C16H15BrF3N5O.C10H12F3N3.C6H7BO2.C6H4BrClN2O.C6H3BrClNO2/c23-22(24,25)16-6-7-19(27-12-16)29-17-8-9-30(13-17)21-18(20(26)31)10-15(11-28-21)14-4-2-1-3-5-14;17-10-5-12(14(21)26)15(23-7-10)25-4-3-11(8-25)24-13-2-1-9(6-22-13)16(18,19)20;11-10(12,13)7-1-2-9(15-5-7)16-8-3-4-14-6-8;8-7(9)6-4-2-1-3-5-6;7-3-1-4(6(9)11)5(8)10-2-3;7-3-1-4(6(10)11)5(8)9-2-3/h1-7,10-12,17H,8-9,13H2,(H2,26,31)(H,27,29);1-2,5-7,11H,3-4,8H2,(H2,21,26)(H,22,24);1-2,5,8,14H,3-4,6H2,(H,15,16);1-5,8-9H;1-2H,(H2,9,11);1-2H,(H,10,11)/t17-;11-;8-;;;/m000.../s1
InChIKeyGNNUYMRSBJUVAL-DKKOENHFSA-N
XLogP12.03
TPSA351.86 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001682.73
LogP ≤ 512.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 167575967) is 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(N[C@H]2CCNC2)nc1.NC(=O)c1cc(-c2ccccc2)cnc1N1CC[C@H](Nc2ccc(C(F)(F)F)cn2)C1.NC(=O)c1cc(Br)cnc1Cl.NC(=O)c1cc(Br)cnc1N1CC[C@H](Nc2ccc(C(F)(F)F)cn2)C1.O=C(O)c1cc(Br)cnc1Cl.OB(O)c1ccccc1.
What is the InChIKey of 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GNNUYMRSBJUVAL-DKKOENHFSA-N. The full InChI is InChI=1S/C22H20F3N5O.C16H15BrF3N5O.C10H12F3N3.C6H7BO2.C6H4BrClN2O.C6H3BrClNO2/c23-22(24,25)16-6-7-19(27-12-16)29-17-8-9-30(13-17)21-18(20(26)31)10-15(11-28-21)14-4-2-1-3-5-14;17-10-5-12(14(21)26)15(23-7-10)25-4-3-11(8-25)24-13-2-1-9(6-22-13)16(18,19)20;11-10(12,13)7-1-2-9(15-5-7)16-8-3-4-14-6-8;8-7(9)6-4-2-1-3-5-6;7-3-1-4(6(9)11)5(8)10-2-3;7-3-1-4(6(10)11)5(8)9-2-3/h1-7,10-12,17H,8-9,13H2,(H2,26,31)(H,27,29);1-2,5-7,11H,3-4,8H2,(H2,21,26)(H,22,24);1-2,5,8,14H,3-4,6H2,(H,15,16);1-5,8-9H;1-2H,(H2,9,11);1-2H,(H,10,11)/t17-;11-;8-;;;/m000.../s1.
What are the key properties of 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1682.73 g/mol, XLogP of 12.03, 14 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid;5-bromo-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;phenylboronic acid;5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 167575967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).