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

C6H7Cl3N2 — CID 91667899

IUPAC(4,6-dichloro-2-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)cc(Cl)n1
InChIInChI=1S/C6H6Cl2N2.ClH/c7-4-1-5(3-9)10-6(8)2-4;/h1-2H,3,9H2;1H
InChIKeyLBSWPMASOMSPSB-UHFFFAOYSA-N
MW213.49 g/mol
LogP2.27
Rot. Bonds1

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

(4,6-dichloro-2-pyridinyl)methanamine;hydrochloride (PubChem CID 91667899) has the molecular formula C6H7Cl3N2 and a molecular weight of 213.49 g/mol. Its IUPAC name is (4,6-dichloro-2-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4,6-dichloro-2-pyridinyl)methanamine;hydrochloride
PubChem CID91667899
Molecular FormulaC6H7Cl3N2
Molecular Weight213.49 g/mol
Exact Mass211.97
IUPAC Name(4,6-dichloro-2-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)cc(Cl)n1
InChIInChI=1S/C6H6Cl2N2.ClH/c7-4-1-5(3-9)10-6(8)2-4;/h1-2H,3,9H2;1H
InChIKeyLBSWPMASOMSPSB-UHFFFAOYSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.49
LogP ≤ 52.27
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 (4,6-dichloro-2-pyridinyl)methanamine;hydrochloride?
The IUPAC name of (4,6-dichloro-2-pyridinyl)methanamine;hydrochloride (CID 91667899) is (4,6-dichloro-2-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for (4,6-dichloro-2-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for (4,6-dichloro-2-pyridinyl)methanamine;hydrochloride is Cl.NCc1cc(Cl)cc(Cl)n1.
What is the InChIKey of (4,6-dichloro-2-pyridinyl)methanamine;hydrochloride?
The InChIKey is LBSWPMASOMSPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2.ClH/c7-4-1-5(3-9)10-6(8)2-4;/h1-2H,3,9H2;1H.
What are the key properties of (4,6-dichloro-2-pyridinyl)methanamine;hydrochloride?
(4,6-dichloro-2-pyridinyl)methanamine;hydrochloride has a molecular weight of 213.49 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-2-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 91667899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).