6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C15H15F2N3 — CID 166291022

IUPAC6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC(F)(F)c1cncc(-c2cnc3c(c2)CCCN3)c1
InChIInChI=1S/C15H15F2N3/c1-15(16,17)13-6-12(7-18-9-13)11-5-10-3-2-4-19-14(10)20-8-11/h5-9H,2-4H2,1H3,(H,19,20)
InChIKeyCTYUFXOPVWVETJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.61
Rot. Bonds2

About 6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 166291022) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID166291022
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC(F)(F)c1cncc(-c2cnc3c(c2)CCCN3)c1
InChIInChI=1S/C15H15F2N3/c1-15(16,17)13-6-12(7-18-9-13)11-5-10-3-2-4-19-14(10)20-8-11/h5-9H,2-4H2,1H3,(H,19,20)
InChIKeyCTYUFXOPVWVETJ-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 45496220
6-(2-methyl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 90168149
6-[3-[(E)-2-[5-methyl-2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 144751734
6-ethoxy-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 133059709
6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 123837949
3-chloro-5-(1,1-difluoroethyl)pyridine
CID 118107873
6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepine
CID 18948533
2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 166941093
6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
CID 23004948
5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 55255548
1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 142419123
3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 67570814

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 166291022) is 6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is CC(F)(F)c1cncc(-c2cnc3c(c2)CCCN3)c1.
What is the InChIKey of 6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is CTYUFXOPVWVETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c1-15(16,17)13-6-12(7-18-9-13)11-5-10-3-2-4-19-14(10)20-8-11/h5-9H,2-4H2,1H3,(H,19,20).
What are the key properties of 6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 275.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 166291022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).