[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane

C15H12Cl2FN4P — CID 170446076

IUPAC[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane
SMILESCc1nc2cc(F)c(-c3cnc(P(C)C)nc3)nc2c(Cl)c1Cl
InChIInChI=1S/C15H12Cl2FN4P/c1-7-11(16)12(17)14-10(21-7)4-9(18)13(22-14)8-5-19-15(20-6-8)23(2)3/h4-6H,1-3H3
InChIKeyWZXLKXHEZSWYPW-UHFFFAOYSA-N
MW369.17 g/mol
LogP4.21
Rot. Bonds2

About [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane

[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane (PubChem CID 170446076) has the molecular formula C15H12Cl2FN4P and a molecular weight of 369.17 g/mol. Its IUPAC name is [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane.

Molecular Properties

Compound Name[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane
PubChem CID170446076
Molecular FormulaC15H12Cl2FN4P
Molecular Weight369.17 g/mol
Exact Mass368.02
IUPAC Name[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane
SMILESCc1nc2cc(F)c(-c3cnc(P(C)C)nc3)nc2c(Cl)c1Cl
InChIInChI=1S/C15H12Cl2FN4P/c1-7-11(16)12(17)14-10(21-7)4-9(18)13(22-14)8-5-19-15(20-6-8)23(2)3/h4-6H,1-3H3
InChIKeyWZXLKXHEZSWYPW-UHFFFAOYSA-N
XLogP4.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane?
The IUPAC name of [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane (CID 170446076) is [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane.
What is the SMILES notation for [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane?
The canonical SMILES for [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane is Cc1nc2cc(F)c(-c3cnc(P(C)C)nc3)nc2c(Cl)c1Cl.
What is the InChIKey of [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane?
The InChIKey is WZXLKXHEZSWYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN4P/c1-7-11(16)12(17)14-10(21-7)4-9(18)13(22-14)8-5-19-15(20-6-8)23(2)3/h4-6H,1-3H3.
What are the key properties of [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane?
[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane has a molecular weight of 369.17 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane is sourced from PubChem (CID 170446076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).