3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium

C9H6ClFN3OPd- — CID 164914506

IUPAC3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium
SMILESFc1cc(Cl)ccc1COc1nc[n-]n1.[Pd]
InChIInChI=1S/C9H6ClFN3O.Pd/c10-7-2-1-6(8(11)3-7)4-15-9-12-5-13-14-9;/h1-3,5H,4H2;/q-1;
InChIKeyXQUSKOUUUCZHHL-UHFFFAOYSA-N
MW333.04 g/mol
LogP1.80
Rot. Bonds3

About 3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium

3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium (PubChem CID 164914506) has the molecular formula C9H6ClFN3OPd- and a molecular weight of 333.04 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium
PubChem CID164914506
Molecular FormulaC9H6ClFN3OPd-
Molecular Weight333.04 g/mol
Exact Mass331.92
IUPAC Name3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium
SMILESFc1cc(Cl)ccc1COc1nc[n-]n1.[Pd]
InChIInChI=1S/C9H6ClFN3O.Pd/c10-7-2-1-6(8(11)3-7)4-15-9-12-5-13-14-9;/h1-3,5H,4H2;/q-1;
InChIKeyXQUSKOUUUCZHHL-UHFFFAOYSA-N
XLogP1.80
TPSA49.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.04
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
2-[(4-chloro-2-fluorophenyl)methoxy]pyrazine
CID 176885300
4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene
CID 166609586
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine
CID 175941451
2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene
CID 114850377
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 104980107
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144
[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850107

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium (CID 164914506) is 3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium is Fc1cc(Cl)ccc1COc1nc[n-]n1.[Pd].
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium?
The InChIKey is XQUSKOUUUCZHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN3O.Pd/c10-7-2-1-6(8(11)3-7)4-15-9-12-5-13-14-9;/h1-3,5H,4H2;/q-1;.
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium?
3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium has a molecular weight of 333.04 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium is sourced from PubChem (CID 164914506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).