3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol

C12H14BrN3O2 — CID 113394421

IUPAC3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C12H14BrN3O2/c1-12(18,7-17)6-16-9-2-3-14-10-4-8(13)5-15-11(9)10/h2-5,17-18H,6-7H2,1H3,(H,14,16)
InChIKeyNSTIXCVWXHQQHC-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.55
Rot. Bonds4

About 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol

3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol (PubChem CID 113394421) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
PubChem CID113394421
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C12H14BrN3O2/c1-12(18,7-17)6-16-9-2-3-14-10-4-8(13)5-15-11(9)10/h2-5,17-18H,6-7H2,1H3,(H,14,16)
InChIKeyNSTIXCVWXHQQHC-UHFFFAOYSA-N
XLogP1.55
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol (CID 113394421) is 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol is CC(O)(CO)CNc1ccnc2cc(Br)cnc12.
What is the InChIKey of 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol?
The InChIKey is NSTIXCVWXHQQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-12(18,7-17)6-16-9-2-3-14-10-4-8(13)5-15-11(9)10/h2-5,17-18H,6-7H2,1H3,(H,14,16).
What are the key properties of 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol?
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol has a molecular weight of 312.17 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 113394421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).