3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal

C14H11Cl2FNOP — CID 142316388

IUPAC3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal
SMILESO=CCCc1c(-c2ccc(P)cc2F)cc(Cl)nc1Cl
InChIInChI=1S/C14H11Cl2FNOP/c15-13-7-11(9-4-3-8(20)6-12(9)17)10(2-1-5-19)14(16)18-13/h3-7H,1-2,20H2
InChIKeyYSADUVBZPAPVNM-UHFFFAOYSA-N
MW330.13 g/mol
LogP3.83
Rot. Bonds4

About 3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal

3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal (PubChem CID 142316388) has the molecular formula C14H11Cl2FNOP and a molecular weight of 330.13 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal.

Molecular Properties

Compound Name3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal
PubChem CID142316388
Molecular FormulaC14H11Cl2FNOP
Molecular Weight330.13 g/mol
Exact Mass328.99
IUPAC Name3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal
SMILESO=CCCc1c(-c2ccc(P)cc2F)cc(Cl)nc1Cl
InChIInChI=1S/C14H11Cl2FNOP/c15-13-7-11(9-4-3-8(20)6-12(9)17)10(2-1-5-19)14(16)18-13/h3-7H,1-2,20H2
InChIKeyYSADUVBZPAPVNM-UHFFFAOYSA-N
XLogP3.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal?
The IUPAC name of 3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal (CID 142316388) is 3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal.
What is the SMILES notation for 3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal?
The canonical SMILES for 3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal is O=CCCc1c(-c2ccc(P)cc2F)cc(Cl)nc1Cl.
What is the InChIKey of 3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal?
The InChIKey is YSADUVBZPAPVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FNOP/c15-13-7-11(9-4-3-8(20)6-12(9)17)10(2-1-5-19)14(16)18-13/h3-7H,1-2,20H2.
What are the key properties of 3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal?
3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal has a molecular weight of 330.13 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal is sourced from PubChem (CID 142316388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).