(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol

C10H14N2O — CID 117274631

IUPAC(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol
SMILESCc1nc2c(cc1CO)CNCC2
InChIInChI=1S/C10H14N2O/c1-7-9(6-13)4-8-5-11-3-2-10(8)12-7/h4,11,13H,2-3,5-6H2,1H3
InChIKeyRKJGHXGCUCVQPI-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.53
Rot. Bonds1

About (2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol

(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol (PubChem CID 117274631) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol.

Molecular Properties

Compound Name(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol
PubChem CID117274631
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol
SMILESCc1nc2c(cc1CO)CNCC2
InChIInChI=1S/C10H14N2O/c1-7-9(6-13)4-8-5-11-3-2-10(8)12-7/h4,11,13H,2-3,5-6H2,1H3
InChIKeyRKJGHXGCUCVQPI-UHFFFAOYSA-N
XLogP0.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol?
The IUPAC name of (2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol (CID 117274631) is (2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol.
What is the SMILES notation for (2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol?
The canonical SMILES for (2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol is Cc1nc2c(cc1CO)CNCC2.
What is the InChIKey of (2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol?
The InChIKey is RKJGHXGCUCVQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-9(6-13)4-8-5-11-3-2-10(8)12-7/h4,11,13H,2-3,5-6H2,1H3.
What are the key properties of (2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol?
(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol has a molecular weight of 178.23 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol is sourced from PubChem (CID 117274631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).