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

C16H14Cl2N3P — CID 170447427

IUPAC[5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane
SMILESCc1nc2ccc(-c3ccc(P(C)C)nc3)nc2c(Cl)c1Cl
InChIInChI=1S/C16H14Cl2N3P/c1-9-14(17)15(18)16-12(20-9)6-5-11(21-16)10-4-7-13(19-8-10)22(2)3/h4-8H,1-3H3
InChIKeyQKSBLEKAKFJASP-UHFFFAOYSA-N
MW350.19 g/mol
LogP4.67
Rot. Bonds2

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

[5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane (PubChem CID 170447427) has the molecular formula C16H14Cl2N3P and a molecular weight of 350.19 g/mol. Its IUPAC name is [5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane.

Molecular Properties

Compound Name[5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane
PubChem CID170447427
Molecular FormulaC16H14Cl2N3P
Molecular Weight350.19 g/mol
Exact Mass349.03
IUPAC Name[5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane
SMILESCc1nc2ccc(-c3ccc(P(C)C)nc3)nc2c(Cl)c1Cl
InChIInChI=1S/C16H14Cl2N3P/c1-9-14(17)15(18)16-12(20-9)6-5-11(21-16)10-4-7-13(19-8-10)22(2)3/h4-8H,1-3H3
InChIKeyQKSBLEKAKFJASP-UHFFFAOYSA-N
XLogP4.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane?
The IUPAC name of [5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane (CID 170447427) is [5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane.
What is the SMILES notation for [5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane?
The canonical SMILES for [5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane is Cc1nc2ccc(-c3ccc(P(C)C)nc3)nc2c(Cl)c1Cl.
What is the InChIKey of [5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane?
The InChIKey is QKSBLEKAKFJASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N3P/c1-9-14(17)15(18)16-12(20-9)6-5-11(21-16)10-4-7-13(19-8-10)22(2)3/h4-8H,1-3H3.
What are the key properties of [5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane?
[5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane has a molecular weight of 350.19 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane is sourced from PubChem (CID 170447427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).