6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine

C14H14ClN3O2 — CID 62004028

IUPAC6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine
SMILESCc1cc(C)cc(N(C)c2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H14ClN3O2/c1-9-6-10(2)8-11(7-9)17(3)14-12(18(19)20)4-5-13(15)16-14/h4-8H,1-3H3
InChIKeyOGPBJCMQUKPKBX-UHFFFAOYSA-N
MW291.74 g/mol
LogP4.03
Rot. Bonds3

About 6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine

6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine (PubChem CID 62004028) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine
PubChem CID62004028
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine
SMILESCc1cc(C)cc(N(C)c2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H14ClN3O2/c1-9-6-10(2)8-11(7-9)17(3)14-12(18(19)20)4-5-13(15)16-14/h4-8H,1-3H3
InChIKeyOGPBJCMQUKPKBX-UHFFFAOYSA-N
XLogP4.03
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.03
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

2-[4-[3-(3-Chlorophenyl)prop-2-ynylidene]piperidin-1-yl]-3-nitropyridine
CID 87550873
N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine
CID 3146292
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-1-(3-nitrophenyl)methanimine
CID 1547676
N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine
CID 2804600
2-(4-Cyanophenylamino)-6-chloro-3-nitropyridine
CID 43330295
N-(3,5-dimethylphenyl)-2,6-dinitro-3-pyridinamine
CID 2858742
6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine
CID 43330272
N-methyl-5-nitro-N-(2-phenylethyl)-2-pyridinamine
CID 2848973
6-chloro-3-nitro-N-phenylpyridin-2-amine
CID 3785006
6-chloro-2-N-(4-methylphenyl)amino-3-nitropyridine
CID 43330303
N-benzyl-N-methyl-5-nitropyridin-2-amine
CID 3821838
4-[(6-Chloro-3-nitro-2-pyridinyl)-methylamino]benzonitrile
CID 62982032

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine (CID 62004028) is 6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine is Cc1cc(C)cc(N(C)c2nc(Cl)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine?
The InChIKey is OGPBJCMQUKPKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9-6-10(2)8-11(7-9)17(3)14-12(18(19)20)4-5-13(15)16-14/h4-8H,1-3H3.
What are the key properties of 6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine?
6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine has a molecular weight of 291.74 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 62004028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).