2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol

C19H19F2N3O — CID 169259712

IUPAC2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol
SMILESCCC(F)(F)c1ccc(-c2cnc(NCCO)c3ncccc23)cc1
InChIInChI=1S/C19H19F2N3O/c1-2-19(20,21)14-7-5-13(6-8-14)16-12-24-18(23-10-11-25)17-15(16)4-3-9-22-17/h3-9,12,25H,2,10-11H2,1H3,(H,23,24)
InChIKeySDHADGACFDYJTG-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.20
Rot. Bonds6

About 2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol

2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol (PubChem CID 169259712) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol
PubChem CID169259712
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol
SMILESCCC(F)(F)c1ccc(-c2cnc(NCCO)c3ncccc23)cc1
InChIInChI=1S/C19H19F2N3O/c1-2-19(20,21)14-7-5-13(6-8-14)16-12-24-18(23-10-11-25)17-15(16)4-3-9-22-17/h3-9,12,25H,2,10-11H2,1H3,(H,23,24)
InChIKeySDHADGACFDYJTG-UHFFFAOYSA-N
XLogP4.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 82341834
3-[[(8-bromo-1,6-naphthyridin-5-yl)amino]methyl]oxolan-3-ol;3-[[[8-[4-(1,1-difluoroethyl)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]oxolan-3-ol
CID 170316816
[2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid
CID 164518005
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
[7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol
CID 168905566
5-(2-hydroxyethylamino)quinoline-8-carbonitrile
CID 14501167
N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide
CID 140804572
5-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-1,10-phenanthroline
CID 102266958

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol?
The IUPAC name of 2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol (CID 169259712) is 2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol?
The canonical SMILES for 2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol is CCC(F)(F)c1ccc(-c2cnc(NCCO)c3ncccc23)cc1.
What is the InChIKey of 2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol?
The InChIKey is SDHADGACFDYJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c1-2-19(20,21)14-7-5-13(6-8-14)16-12-24-18(23-10-11-25)17-15(16)4-3-9-22-17/h3-9,12,25H,2,10-11H2,1H3,(H,23,24).
What are the key properties of 2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol?
2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol has a molecular weight of 343.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(1,1-difluoropropyl)phenyl]-1,7-naphthyridin-8-yl]amino]ethanol is sourced from PubChem (CID 169259712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).