1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine

C19H20Cl2FN2OP — CID 142316539

IUPAC1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine
SMILESCON(C)C(CCc1c(-c2ccc(P)cc2F)cc(Cl)nc1Cl)=C1CC1
InChIInChI=1S/C19H20Cl2FN2OP/c1-24(25-2)17(11-3-4-11)8-7-14-15(10-18(20)23-19(14)21)13-6-5-12(26)9-16(13)22/h5-6,9-10H,3-4,7-8,26H2,1-2H3
InChIKeyHRPZWIPORKXWGE-UHFFFAOYSA-N
MW413.26 g/mol
LogP5.17
Rot. Bonds6

About 1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine

1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine (PubChem CID 142316539) has the molecular formula C19H20Cl2FN2OP and a molecular weight of 413.26 g/mol. Its IUPAC name is 1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine
PubChem CID142316539
Molecular FormulaC19H20Cl2FN2OP
Molecular Weight413.26 g/mol
Exact Mass412.07
IUPAC Name1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine
SMILESCON(C)C(CCc1c(-c2ccc(P)cc2F)cc(Cl)nc1Cl)=C1CC1
InChIInChI=1S/C19H20Cl2FN2OP/c1-24(25-2)17(11-3-4-11)8-7-14-15(10-18(20)23-19(14)21)13-6-5-12(26)9-16(13)22/h5-6,9-10H,3-4,7-8,26H2,1-2H3
InChIKeyHRPZWIPORKXWGE-UHFFFAOYSA-N
XLogP5.17
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.26
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine?
The IUPAC name of 1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine (CID 142316539) is 1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine is CON(C)C(CCc1c(-c2ccc(P)cc2F)cc(Cl)nc1Cl)=C1CC1.
What is the InChIKey of 1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine?
The InChIKey is HRPZWIPORKXWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FN2OP/c1-24(25-2)17(11-3-4-11)8-7-14-15(10-18(20)23-19(14)21)13-6-5-12(26)9-16(13)22/h5-6,9-10H,3-4,7-8,26H2,1-2H3.
What are the key properties of 1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine?
1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine has a molecular weight of 413.26 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 142316539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).