3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine

C12H17FN2 — CID 168942576

IUPAC3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine
SMILESCC(C)N1CC=CC2=C1N(C)CC(F)=C2
InChIInChI=1S/C12H17FN2/c1-9(2)15-6-4-5-10-7-11(13)8-14(3)12(10)15/h4-5,7,9H,6,8H2,1-3H3
InChIKeyLWKXUOAVCNPZKZ-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.28
Rot. Bonds1

About 3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine

3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine (PubChem CID 168942576) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine.

Molecular Properties

Compound Name3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine
PubChem CID168942576
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine
SMILESCC(C)N1CC=CC2=C1N(C)CC(F)=C2
InChIInChI=1S/C12H17FN2/c1-9(2)15-6-4-5-10-7-11(13)8-14(3)12(10)15/h4-5,7,9H,6,8H2,1-3H3
InChIKeyLWKXUOAVCNPZKZ-UHFFFAOYSA-N
XLogP2.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine?
The IUPAC name of 3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine (CID 168942576) is 3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine.
What is the SMILES notation for 3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine?
The canonical SMILES for 3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine is CC(C)N1CC=CC2=C1N(C)CC(F)=C2.
What is the InChIKey of 3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine?
The InChIKey is LWKXUOAVCNPZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9(2)15-6-4-5-10-7-11(13)8-14(3)12(10)15/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of 3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine?
3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine has a molecular weight of 208.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine is sourced from PubChem (CID 168942576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).