6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine

C11H10ClN3 — CID 112547307

IUPAC6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine
SMILESCc1nc(-c2cccnc2Cl)ccc1N
InChIInChI=1S/C11H10ClN3/c1-7-9(13)4-5-10(15-7)8-3-2-6-14-11(8)12/h2-6H,13H2,1H3
InChIKeyHXXVYGMLVZBEDM-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.69
Rot. Bonds1

About 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine

6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine (PubChem CID 112547307) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine
PubChem CID112547307
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine
SMILESCc1nc(-c2cccnc2Cl)ccc1N
InChIInChI=1S/C11H10ClN3/c1-7-9(13)4-5-10(15-7)8-3-2-6-14-11(8)12/h2-6H,13H2,1H3
InChIKeyHXXVYGMLVZBEDM-UHFFFAOYSA-N
XLogP2.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine?
The IUPAC name of 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine (CID 112547307) is 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine.
What is the SMILES notation for 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine?
The canonical SMILES for 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine is Cc1nc(-c2cccnc2Cl)ccc1N.
What is the InChIKey of 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine?
The InChIKey is HXXVYGMLVZBEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-7-9(13)4-5-10(15-7)8-3-2-6-14-11(8)12/h2-6H,13H2,1H3.
What are the key properties of 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine?
6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine has a molecular weight of 219.68 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine is sourced from PubChem (CID 112547307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).