6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one

C20H13ClFN3O — CID 137438051

IUPAC6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)c(F)c(Cl)n1
InChIInChI=1S/C20H13ClFN3O/c1-11-9-13(17(22)19(21)24-11)14-10-15-16(26)7-8-23-20(15)25-18(14)12-5-3-2-4-6-12/h2-10H,1H3,(H,23,25,26)
InChIKeyYTBZPNVNEVTGQD-UHFFFAOYSA-N
MW365.80 g/mol
LogP4.75
Rot. Bonds2

About 6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one

6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137438051) has the molecular formula C20H13ClFN3O and a molecular weight of 365.80 g/mol. Its IUPAC name is 6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137438051
Molecular FormulaC20H13ClFN3O
Molecular Weight365.80 g/mol
Exact Mass365.07
IUPAC Name6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)c(F)c(Cl)n1
InChIInChI=1S/C20H13ClFN3O/c1-11-9-13(17(22)19(21)24-11)14-10-15-16(26)7-8-23-20(15)25-18(14)12-5-3-2-4-6-12/h2-10H,1H3,(H,23,25,26)
InChIKeyYTBZPNVNEVTGQD-UHFFFAOYSA-N
XLogP4.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137438051) is 6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)c(F)c(Cl)n1.
What is the InChIKey of 6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is YTBZPNVNEVTGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O/c1-11-9-13(17(22)19(21)24-11)14-10-15-16(26)7-8-23-20(15)25-18(14)12-5-3-2-4-6-12/h2-10H,1H3,(H,23,25,26).
What are the key properties of 6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 365.80 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).