2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine

C47H50BBr2N19O4 — CID 159879334

IUPAC2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine
SMILESCn1cc(-c2cnc(N)c(-c3nc4ncccc4[nH]3)c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cccnc1N.Nc1ncc(Br)cc1-c1nc2ncccc2[nH]1.Nc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C15H13N7.C11H8BrN5.C10H17BN2O2.C6H5BrN2O2.C5H7N3/c1-22-8-10(7-19-22)9-5-11(13(16)18-6-9)14-20-12-3-2-4-17-15(12)21-14;12-6-4-7(9(13)15-5-6)10-16-8-2-1-3-14-11(8)17-10;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;7-3-1-4(6(10)11)5(8)9-2-3;6-4-2-1-3-8-5(4)7/h2-8H,1H3,(H2,16,18)(H,17,20,21);1-5H,(H2,13,15)(H,14,16,17);6-7H,1-5H3;1-2H,(H2,8,9)(H,10,11);1-3H,6H2,(H2,7,8)
InChIKeyNTIDMEVYSOXDMI-UHFFFAOYSA-N
MW1115.67 g/mol
LogP6.46
Rot. Bonds5

About 2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine

2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine (PubChem CID 159879334) has the molecular formula C47H50BBr2N19O4 and a molecular weight of 1115.67 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine.

Molecular Properties

Compound Name2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine
PubChem CID159879334
Molecular FormulaC47H50BBr2N19O4
Molecular Weight1115.67 g/mol
Exact Mass1113.28
IUPAC Name2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine
SMILESCn1cc(-c2cnc(N)c(-c3nc4ncccc4[nH]3)c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cccnc1N.Nc1ncc(Br)cc1-c1nc2ncccc2[nH]1.Nc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C15H13N7.C11H8BrN5.C10H17BN2O2.C6H5BrN2O2.C5H7N3/c1-22-8-10(7-19-22)9-5-11(13(16)18-6-9)14-20-12-3-2-4-17-15(12)21-14;12-6-4-7(9(13)15-5-6)10-16-8-2-1-3-14-11(8)17-10;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;7-3-1-4(6(10)11)5(8)9-2-3;6-4-2-1-3-8-5(4)7/h2-8H,1H3,(H2,16,18)(H,17,20,21);1-5H,(H2,13,15)(H,14,16,17);6-7H,1-5H3;1-2H,(H2,8,9)(H,10,11);1-3H,6H2,(H2,7,8)
InChIKeyNTIDMEVYSOXDMI-UHFFFAOYSA-N
XLogP6.46
TPSA356.20 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001115.67
LogP ≤ 56.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine with MolForge

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Related Compounds

CID 157085752
CID 157085752
5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;(5-isocyanopyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 157300357
2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)-N-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;1-[2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]ethanone
CID 158045586
[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-bromo-4-methylpyridine-3-carbaldehyde;bis((5-bromo-4-methyl-3-pyridinyl)methanol)
CID 158952989
5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;(5-isocyanopyrrolo[2,3-b]pyridin-1-yl)phosphane;5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 159280457
5-[4-(Benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-carboxamide;ethyl 5-bromopyridine-3-carboxylate;ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160891159
CID 160969208
CID 160969208
7-bromo-N,3-dimethyltriazolo[4,5-b]pyridin-5-amine;7-(bromomethyl)-N,3-dimethyltriazolo[4,5-b]pyridin-5-amine;4-(bromomethyl)-1H-pyrazole;tert-butyl 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrazole-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;7-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N,3-dimethyltriazolo[4,5-b]pyridin-5-amine;N,3-dimethyl-7-(1H-pyrazol-4-ylmethyl)triazolo[4,5-b]pyridin-5-amine;methyl 3-methyl-5-(methylamino)triazolo[4,5-b]pyridine-7-carboxylate
CID 161751160
[2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropylboronic acid;6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide;methyl 6-bromopyridine-3-carboxylate;methyl 6-cyclopropylpyridine-3-carboxylate
CID 161859717

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine?
The IUPAC name of 2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine (CID 159879334) is 2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine.
What is the SMILES notation for 2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine?
The canonical SMILES for 2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine is Cn1cc(-c2cnc(N)c(-c3nc4ncccc4[nH]3)c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cccnc1N.Nc1ncc(Br)cc1-c1nc2ncccc2[nH]1.Nc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine?
The InChIKey is NTIDMEVYSOXDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7.C11H8BrN5.C10H17BN2O2.C6H5BrN2O2.C5H7N3/c1-22-8-10(7-19-22)9-5-11(13(16)18-6-9)14-20-12-3-2-4-17-15(12)21-14;12-6-4-7(9(13)15-5-6)10-16-8-2-1-3-14-11(8)17-10;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;7-3-1-4(6(10)11)5(8)9-2-3;6-4-2-1-3-8-5(4)7/h2-8H,1H3,(H2,16,18)(H,17,20,21);1-5H,(H2,13,15)(H,14,16,17);6-7H,1-5H3;1-2H,(H2,8,9)(H,10,11);1-3H,6H2,(H2,7,8).
What are the key properties of 2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine?
2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine has a molecular weight of 1115.67 g/mol, XLogP of 6.46, 5 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromopyridine-3-carboxylic acid;5-bromo-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2,3-diamine is sourced from PubChem (CID 159879334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).