(4-methoxy-2-pyridinyl)methanamine;dihydrochloride

C7H12Cl2N2O — CID 71699979

IUPAC(4-methoxy-2-pyridinyl)methanamine;dihydrochloride
SMILESCOc1ccnc(CN)c1.Cl.Cl
InChIInChI=1S/C7H10N2O.2ClH/c1-10-7-2-3-9-6(4-7)5-8;;/h2-4H,5,8H2,1H3;2*1H
InChIKeyIEURCDZVESESPI-UHFFFAOYSA-N
MW211.09 g/mol
LogP1.39
Rot. Bonds2

About (4-methoxy-2-pyridinyl)methanamine;dihydrochloride

(4-methoxy-2-pyridinyl)methanamine;dihydrochloride (PubChem CID 71699979) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is (4-methoxy-2-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(4-methoxy-2-pyridinyl)methanamine;dihydrochloride
PubChem CID71699979
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name(4-methoxy-2-pyridinyl)methanamine;dihydrochloride
SMILESCOc1ccnc(CN)c1.Cl.Cl
InChIInChI=1S/C7H10N2O.2ClH/c1-10-7-2-3-9-6(4-7)5-8;;/h2-4H,5,8H2,1H3;2*1H
InChIKeyIEURCDZVESESPI-UHFFFAOYSA-N
XLogP1.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (4-methoxy-2-pyridinyl)methanamine;dihydrochloride (CID 71699979) is (4-methoxy-2-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (4-methoxy-2-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (4-methoxy-2-pyridinyl)methanamine;dihydrochloride is COc1ccnc(CN)c1.Cl.Cl.
What is the InChIKey of (4-methoxy-2-pyridinyl)methanamine;dihydrochloride?
The InChIKey is IEURCDZVESESPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c1-10-7-2-3-9-6(4-7)5-8;;/h2-4H,5,8H2,1H3;2*1H.
What are the key properties of (4-methoxy-2-pyridinyl)methanamine;dihydrochloride?
(4-methoxy-2-pyridinyl)methanamine;dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 71699979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).