1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine

C13H13ClN4O2 — CID 43617217

IUPAC1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H13ClN4O2/c1-17(2)10-5-3-9(4-6-10)15-13-11(18(19)20)7-8-12(14)16-13/h3-8H,1-2H3,(H,15,16)
InChIKeySUJOKVVZUWZAPQ-UHFFFAOYSA-N
MW292.73 g/mol
LogP3.45
Rot. Bonds4

About 1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 43617217) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID43617217
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H13ClN4O2/c1-17(2)10-5-3-9(4-6-10)15-13-11(18(19)20)7-8-12(14)16-13/h3-8H,1-2H3,(H,15,16)
InChIKeySUJOKVVZUWZAPQ-UHFFFAOYSA-N
XLogP3.45
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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

6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
1-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]phenyl]ethanone
CID 118366553
1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N-ethyl-4-N-(2-fluoroethyl)benzene-1,4-diamine
CID 140572053
6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 43330264
4-[(6-chloro-3-nitro-2-pyridinyl)amino]benzoic acid
CID 70689067
2-(6-chloro-3-nitro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83020190
6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
CID 43330240
N-(1,3-benzodioxol-5-yl)-6-chloro-3-nitropyridin-2-amine
CID 21329321
N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine
CID 113452360
N-(6-chloro-3-nitro-2-pyridinyl)-2-methyl-1,3-benzoxazol-5-amine
CID 146338657
N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine
CID 107636959
6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine
CID 43330260

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine (CID 43617217) is 1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is SUJOKVVZUWZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-17(2)10-5-3-9(4-6-10)15-13-11(18(19)20)7-8-12(14)16-13/h3-8H,1-2H3,(H,15,16).
What are the key properties of 1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 292.73 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 43617217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).