5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol

C11H18N2O2 — CID 112704290

IUPAC5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CNC(C)C)c1O
InChIInChI=1S/C11H18N2O2/c1-7(2)12-5-10-9(6-14)4-13-8(3)11(10)15/h4,7,12,14-15H,5-6H2,1-3H3
InChIKeyXFSMTOFQSPGAOZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.09
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol (PubChem CID 112704290) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol
PubChem CID112704290
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CNC(C)C)c1O
InChIInChI=1S/C11H18N2O2/c1-7(2)12-5-10-9(6-14)4-13-8(3)11(10)15/h4,7,12,14-15H,5-6H2,1-3H3
InChIKeyXFSMTOFQSPGAOZ-UHFFFAOYSA-N
XLogP1.09
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol (CID 112704290) is 5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol is Cc1ncc(CO)c(CNC(C)C)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol?
The InChIKey is XFSMTOFQSPGAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)12-5-10-9(6-14)4-13-8(3)11(10)15/h4,7,12,14-15H,5-6H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol has a molecular weight of 210.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 112704290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).