6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride

C10H19Cl2N3O — CID 19831974

IUPAC6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride
SMILESC.Cl.Cl.Nc1ccc(O)c(CNC2CC2)n1
InChIInChI=1S/C9H13N3O.CH4.2ClH/c10-9-4-3-8(13)7(12-9)5-11-6-1-2-6;;;/h3-4,6,11,13H,1-2,5H2,(H2,10,12);1H4;2*1H
InChIKeyBOMBGNHPECEBBM-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.10
Rot. Bonds3

About 6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride

6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride (PubChem CID 19831974) has the molecular formula C10H19Cl2N3O and a molecular weight of 268.19 g/mol. Its IUPAC name is 6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride.

Molecular Properties

Compound Name6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride
PubChem CID19831974
Molecular FormulaC10H19Cl2N3O
Molecular Weight268.19 g/mol
Exact Mass267.09
IUPAC Name6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride
SMILESC.Cl.Cl.Nc1ccc(O)c(CNC2CC2)n1
InChIInChI=1S/C9H13N3O.CH4.2ClH/c10-9-4-3-8(13)7(12-9)5-11-6-1-2-6;;;/h3-4,6,11,13H,1-2,5H2,(H2,10,12);1H4;2*1H
InChIKeyBOMBGNHPECEBBM-UHFFFAOYSA-N
XLogP2.10
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride?
The IUPAC name of 6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride (CID 19831974) is 6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride.
What is the SMILES notation for 6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride?
The canonical SMILES for 6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride is C.Cl.Cl.Nc1ccc(O)c(CNC2CC2)n1.
What is the InChIKey of 6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride?
The InChIKey is BOMBGNHPECEBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.CH4.2ClH/c10-9-4-3-8(13)7(12-9)5-11-6-1-2-6;;;/h3-4,6,11,13H,1-2,5H2,(H2,10,12);1H4;2*1H.
What are the key properties of 6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride?
6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride has a molecular weight of 268.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(cyclopropylamino)methyl]pyridin-3-ol;methane;dihydrochloride is sourced from PubChem (CID 19831974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).