3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine

C15H12ClFN4 — CID 166558223

IUPAC3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine
SMILESCc1ncc(-c2nc3c(C)c(Cl)c(C)nc3cc2F)cn1
InChIInChI=1S/C15H12ClFN4/c1-7-13(16)8(2)20-12-4-11(17)15(21-14(7)12)10-5-18-9(3)19-6-10/h4-6H,1-3H3
InChIKeyDOPMODGQVGLWEV-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.80
Rot. Bonds1

About 3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine

3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine (PubChem CID 166558223) has the molecular formula C15H12ClFN4 and a molecular weight of 302.74 g/mol. Its IUPAC name is 3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine
PubChem CID166558223
Molecular FormulaC15H12ClFN4
Molecular Weight302.74 g/mol
Exact Mass302.07
IUPAC Name3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine
SMILESCc1ncc(-c2nc3c(C)c(Cl)c(C)nc3cc2F)cn1
InChIInChI=1S/C15H12ClFN4/c1-7-13(16)8(2)20-12-4-11(17)15(21-14(7)12)10-5-18-9(3)19-6-10/h4-6H,1-3H3
InChIKeyDOPMODGQVGLWEV-UHFFFAOYSA-N
XLogP3.80
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine?
The IUPAC name of 3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine (CID 166558223) is 3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine.
What is the SMILES notation for 3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine?
The canonical SMILES for 3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine is Cc1ncc(-c2nc3c(C)c(Cl)c(C)nc3cc2F)cn1.
What is the InChIKey of 3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine?
The InChIKey is DOPMODGQVGLWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4/c1-7-13(16)8(2)20-12-4-11(17)15(21-14(7)12)10-5-18-9(3)19-6-10/h4-6H,1-3H3.
What are the key properties of 3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine?
3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine has a molecular weight of 302.74 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine is sourced from PubChem (CID 166558223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).