(2,6-dichloro-4-pyridinyl)methanamine

C6H6Cl2N2 — CID 11423886

IUPAC(2,6-dichloro-4-pyridinyl)methanamine
SMILESNCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C6H6Cl2N2/c7-5-1-4(3-9)2-6(8)10-5/h1-2H,3,9H2
InChIKeyLCVQJXXKYFOSGH-UHFFFAOYSA-N
MW177.03 g/mol
LogP1.85
Rot. Bonds1

About (2,6-dichloro-4-pyridinyl)methanamine

(2,6-dichloro-4-pyridinyl)methanamine (PubChem CID 11423886) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)methanamine
PubChem CID11423886
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC Name(2,6-dichloro-4-pyridinyl)methanamine
SMILESNCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C6H6Cl2N2/c7-5-1-4(3-9)2-6(8)10-5/h1-2H,3,9H2
InChIKeyLCVQJXXKYFOSGH-UHFFFAOYSA-N
XLogP1.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2,6-dichloro-4-pyridinyl)methanamine?
The IUPAC name of (2,6-dichloro-4-pyridinyl)methanamine (CID 11423886) is (2,6-dichloro-4-pyridinyl)methanamine.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)methanamine?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)methanamine is NCc1cc(Cl)nc(Cl)c1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)methanamine?
The InChIKey is LCVQJXXKYFOSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2/c7-5-1-4(3-9)2-6(8)10-5/h1-2H,3,9H2.
What are the key properties of (2,6-dichloro-4-pyridinyl)methanamine?
(2,6-dichloro-4-pyridinyl)methanamine has a molecular weight of 177.03 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)methanamine is sourced from PubChem (CID 11423886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).