6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine

C14H13Cl2N3O2 — CID 62985307

IUPAC6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine
SMILESCC(c1cccc(Cl)c1)N(C)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H13Cl2N3O2/c1-9(10-4-3-5-11(15)8-10)18(2)14-12(19(20)21)6-7-13(16)17-14/h3-9H,1-2H3
InChIKeyDLQVXHFDDAOXHV-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.49
Rot. Bonds4

About 6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine

6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine (PubChem CID 62985307) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine
PubChem CID62985307
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine
SMILESCC(c1cccc(Cl)c1)N(C)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H13Cl2N3O2/c1-9(10-4-3-5-11(15)8-10)18(2)14-12(19(20)21)6-7-13(16)17-14/h3-9H,1-2H3
InChIKeyDLQVXHFDDAOXHV-UHFFFAOYSA-N
XLogP4.49
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
2-N-[1-(3-chlorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80802264
5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide
CID 114406497
1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine
CID 103078461
4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80725929
6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine
CID 62004028
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209
5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80823025
6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 43330314
5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 63537031
5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 62980506

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine (CID 62985307) is 6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine is CC(c1cccc(Cl)c1)N(C)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine?
The InChIKey is DLQVXHFDDAOXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-9(10-4-3-5-11(15)8-10)18(2)14-12(19(20)21)6-7-13(16)17-14/h3-9H,1-2H3.
What are the key properties of 6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine?
6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine has a molecular weight of 326.18 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 62985307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).