[6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride

C7H12Cl2N2O — CID 132888771

IUPAC[6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride
SMILESCl.Cl.NCc1ccc(CO)cn1
InChIInChI=1S/C7H10N2O.2ClH/c8-3-7-2-1-6(5-10)4-9-7;;/h1-2,4,10H,3,5,8H2;2*1H
InChIKeyDPNBXYVAEZYOHP-UHFFFAOYSA-N
MW211.09 g/mol
LogP0.88
Rot. Bonds2

About [6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride

[6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride (PubChem CID 132888771) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is [6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride.

Molecular Properties

Compound Name[6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride
PubChem CID132888771
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name[6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride
SMILESCl.Cl.NCc1ccc(CO)cn1
InChIInChI=1S/C7H10N2O.2ClH/c8-3-7-2-1-6(5-10)4-9-7;;/h1-2,4,10H,3,5,8H2;2*1H
InChIKeyDPNBXYVAEZYOHP-UHFFFAOYSA-N
XLogP0.88
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride?
The IUPAC name of [6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride (CID 132888771) is [6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride.
What is the SMILES notation for [6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride?
The canonical SMILES for [6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride is Cl.Cl.NCc1ccc(CO)cn1.
What is the InChIKey of [6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride?
The InChIKey is DPNBXYVAEZYOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c8-3-7-2-1-6(5-10)4-9-7;;/h1-2,4,10H,3,5,8H2;2*1H.
What are the key properties of [6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride?
[6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride is sourced from PubChem (CID 132888771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).