5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine

C19H10F4N4 — CID 10109689

IUPAC5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine
SMILESFc1ccc(-c2ccnc3nc(C(F)(F)F)ccc23)cc1-c1cncnc1
InChIInChI=1S/C19H10F4N4/c20-16-3-1-11(7-15(16)12-8-24-10-25-9-12)13-5-6-26-18-14(13)2-4-17(27-18)19(21,22)23/h1-10H
InChIKeyIJMBCSGZXMRIMZ-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.91
Rot. Bonds2

About 5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine

5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine (PubChem CID 10109689) has the molecular formula C19H10F4N4 and a molecular weight of 370.31 g/mol. Its IUPAC name is 5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine
PubChem CID10109689
Molecular FormulaC19H10F4N4
Molecular Weight370.31 g/mol
Exact Mass370.08
IUPAC Name5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine
SMILESFc1ccc(-c2ccnc3nc(C(F)(F)F)ccc23)cc1-c1cncnc1
InChIInChI=1S/C19H10F4N4/c20-16-3-1-11(7-15(16)12-8-24-10-25-9-12)13-5-6-26-18-14(13)2-4-17(27-18)19(21,22)23/h1-10H
InChIKeyIJMBCSGZXMRIMZ-UHFFFAOYSA-N
XLogP4.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine (CID 10109689) is 5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine is Fc1ccc(-c2ccnc3nc(C(F)(F)F)ccc23)cc1-c1cncnc1.
What is the InChIKey of 5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is IJMBCSGZXMRIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N4/c20-16-3-1-11(7-15(16)12-8-24-10-25-9-12)13-5-6-26-18-14(13)2-4-17(27-18)19(21,22)23/h1-10H.
What are the key properties of 5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine?
5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 370.31 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 10109689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).