(6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride

C7H11Cl3N2O — CID 170913665

IUPAC(6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride
SMILESCOc1cc(Cl)ncc1CN.Cl.Cl
InChIInChI=1S/C7H9ClN2O.2ClH/c1-11-6-2-7(8)10-4-5(6)3-9;;/h2,4H,3,9H2,1H3;2*1H
InChIKeyLRHAOEGQMMLOGQ-UHFFFAOYSA-N
MW245.54 g/mol
LogP2.05
Rot. Bonds2

About (6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride

(6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride (PubChem CID 170913665) has the molecular formula C7H11Cl3N2O and a molecular weight of 245.54 g/mol. Its IUPAC name is (6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride
PubChem CID170913665
Molecular FormulaC7H11Cl3N2O
Molecular Weight245.54 g/mol
Exact Mass243.99
IUPAC Name(6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride
SMILESCOc1cc(Cl)ncc1CN.Cl.Cl
InChIInChI=1S/C7H9ClN2O.2ClH/c1-11-6-2-7(8)10-4-5(6)3-9;;/h2,4H,3,9H2,1H3;2*1H
InChIKeyLRHAOEGQMMLOGQ-UHFFFAOYSA-N
XLogP2.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.54
LogP ≤ 52.05
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-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride (CID 170913665) is (6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride is COc1cc(Cl)ncc1CN.Cl.Cl.
What is the InChIKey of (6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride?
The InChIKey is LRHAOEGQMMLOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O.2ClH/c1-11-6-2-7(8)10-4-5(6)3-9;;/h2,4H,3,9H2,1H3;2*1H.
What are the key properties of (6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride?
(6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride has a molecular weight of 245.54 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-methoxy-3-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 170913665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).