6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine

C11H9ClN4O2 — CID 24904008

IUPAC6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1NCc1cccnc1
InChIInChI=1S/C11H9ClN4O2/c12-10-4-3-9(16(17)18)11(15-10)14-7-8-2-1-5-13-6-8/h1-6H,7H2,(H,14,15)
InChIKeyCKBVZJJOOCQVAJ-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.65
Rot. Bonds4

About 6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine

6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 24904008) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID24904008
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1NCc1cccnc1
InChIInChI=1S/C11H9ClN4O2/c12-10-4-3-9(16(17)18)11(15-10)14-7-8-2-1-5-13-6-8/h1-6H,7H2,(H,14,15)
InChIKeyCKBVZJJOOCQVAJ-UHFFFAOYSA-N
XLogP2.65
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine (CID 24904008) is 6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1NCc1cccnc1.
What is the InChIKey of 6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is CKBVZJJOOCQVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-10-4-3-9(16(17)18)11(15-10)14-7-8-2-1-5-13-6-8/h1-6H,7H2,(H,14,15).
What are the key properties of 6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine?
6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 264.67 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 24904008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).