2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile

C17H11F2N3O — CID 86301660

IUPAC2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile
SMILESN#CCc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
InChIInChI=1S/C17H11F2N3O/c18-14-2-1-12(5-15(14)19)10-23-13-7-17-16(22-9-13)6-11(3-4-20)8-21-17/h1-2,5-9H,3,10H2
InChIKeyTYSMQVFYGQOIGF-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.55
Rot. Bonds4

About 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile

2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile (PubChem CID 86301660) has the molecular formula C17H11F2N3O and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile
PubChem CID86301660
Molecular FormulaC17H11F2N3O
Molecular Weight311.29 g/mol
Exact Mass311.09
IUPAC Name2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile
SMILESN#CCc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
InChIInChI=1S/C17H11F2N3O/c18-14-2-1-12(5-15(14)19)10-23-13-7-17-16(22-9-13)6-11(3-4-20)8-21-17/h1-2,5-9H,3,10H2
InChIKeyTYSMQVFYGQOIGF-UHFFFAOYSA-N
XLogP3.55
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile?
The IUPAC name of 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile (CID 86301660) is 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile is N#CCc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.
What is the InChIKey of 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile?
The InChIKey is TYSMQVFYGQOIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O/c18-14-2-1-12(5-15(14)19)10-23-13-7-17-16(22-9-13)6-11(3-4-20)8-21-17/h1-2,5-9H,3,10H2.
What are the key properties of 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile?
2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile has a molecular weight of 311.29 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetonitrile is sourced from PubChem (CID 86301660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).