3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine

C10H12ClN3O2 — CID 169474160

IUPAC3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cc([N+](=O)[O-])c(Cl)nc1C
InChIInChI=1S/C10H12ClN3O2/c1-7-8(4-3-5-12-2)6-9(14(15)16)10(11)13-7/h3-4,6,12H,5H2,1-2H3
InChIKeyXLPJAMSWCKGQTP-UHFFFAOYSA-N
MW241.68 g/mol
LogP2.18
Rot. Bonds4

About 3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine

3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine (PubChem CID 169474160) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
PubChem CID169474160
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cc([N+](=O)[O-])c(Cl)nc1C
InChIInChI=1S/C10H12ClN3O2/c1-7-8(4-3-5-12-2)6-9(14(15)16)10(11)13-7/h3-4,6,12H,5H2,1-2H3
InChIKeyXLPJAMSWCKGQTP-UHFFFAOYSA-N
XLogP2.18
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine (CID 169474160) is 3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine is CNCC=Cc1cc([N+](=O)[O-])c(Cl)nc1C.
What is the InChIKey of 3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine?
The InChIKey is XLPJAMSWCKGQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-7-8(4-3-5-12-2)6-9(14(15)16)10(11)13-7/h3-4,6,12H,5H2,1-2H3.
What are the key properties of 3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine?
3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine has a molecular weight of 241.68 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).