6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine

C19H17Br3Cl3N9O2 — CID 161254258

IUPAC6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine
SMILESCNc1c(N)cc(Br)nc1Cl.CNc1c([N+](=O)[O-])cc(Br)nc1Cl.Cn1cnc2cc(Br)nc(Cl)c21
InChIInChI=1S/C7H5BrClN3.C6H5BrClN3O2.C6H7BrClN3/c1-12-3-10-4-2-5(8)11-7(9)6(4)12;1-9-5-3(11(12)13)2-4(7)10-6(5)8;1-10-5-3(9)2-4(7)11-6(5)8/h2-3H,1H3;2,9H,1H3;2,10H,1H3,(H2,9,11)
InChIKeyVBRMEGRHSQTEIZ-UHFFFAOYSA-N
MW749.48 g/mol
LogP6.95
Rot. Bonds3

About 6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine

6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine (PubChem CID 161254258) has the molecular formula C19H17Br3Cl3N9O2 and a molecular weight of 749.48 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine
PubChem CID161254258
Molecular FormulaC19H17Br3Cl3N9O2
Molecular Weight749.48 g/mol
Exact Mass744.81
IUPAC Name6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine
SMILESCNc1c(N)cc(Br)nc1Cl.CNc1c([N+](=O)[O-])cc(Br)nc1Cl.Cn1cnc2cc(Br)nc(Cl)c21
InChIInChI=1S/C7H5BrClN3.C6H5BrClN3O2.C6H7BrClN3/c1-12-3-10-4-2-5(8)11-7(9)6(4)12;1-9-5-3(11(12)13)2-4(7)10-6(5)8;1-10-5-3(9)2-4(7)11-6(5)8/h2-3H,1H3;2,9H,1H3;2,10H,1H3,(H2,9,11)
InChIKeyVBRMEGRHSQTEIZ-UHFFFAOYSA-N
XLogP6.95
TPSA149.71 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.48
LogP ≤ 56.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(6-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 59868392
6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide
CID 157133569
4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine
CID 157327303
5-Bromo-2-chloro-3-nitropyridine;6-bromo-3-methylimidazo[4,5-b]pyridine
CID 157582660
5-chloro-3-ethylimidazo[4,5-b]pyridin-2-amine;6-chloro-N-ethyl-3-nitropyridin-2-amine;6-chloro-2-N-ethylpyridine-2,3-diamine
CID 157693854
6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine
CID 159210373
6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;2-bromo-N-methyl-5-nitropyridin-4-amine;6-bromo-4-N-methylpyridine-3,4-diamine;carbononitridic bromide;2,4-dibromo-5-nitropyridine;methanamine;methane
CID 159470145
6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine
CID 161451391

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine?
The IUPAC name of 6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine (CID 161254258) is 6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine?
The canonical SMILES for 6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine is CNc1c(N)cc(Br)nc1Cl.CNc1c([N+](=O)[O-])cc(Br)nc1Cl.Cn1cnc2cc(Br)nc(Cl)c21.
What is the InChIKey of 6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine?
The InChIKey is VBRMEGRHSQTEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3.C6H5BrClN3O2.C6H7BrClN3/c1-12-3-10-4-2-5(8)11-7(9)6(4)12;1-9-5-3(11(12)13)2-4(7)10-6(5)8;1-10-5-3(9)2-4(7)11-6(5)8/h2-3H,1H3;2,9H,1H3;2,10H,1H3,(H2,9,11).
What are the key properties of 6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine?
6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine has a molecular weight of 749.48 g/mol, XLogP of 6.95, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 161254258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).