[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium

C13H8ClF3N2O5P+ — CID 70457047

IUPAC[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium
SMILESCc1cc([N+](=O)[O-])c([P+](=O)O)cc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7ClF3N2O5P/c1-6-2-9(19(20)21)11(25(22)23)4-10(6)24-12-8(14)3-7(5-18-12)13(15,16)17/h2-5H,1H3/p+1
InChIKeyNHFGXCPHACERKE-UHFFFAOYSA-O
MW395.64 g/mol
LogP4.12
Rot. Bonds4

About [5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium

[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium (PubChem CID 70457047) has the molecular formula C13H8ClF3N2O5P+ and a molecular weight of 395.64 g/mol. Its IUPAC name is [5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium
PubChem CID70457047
Molecular FormulaC13H8ClF3N2O5P+
Molecular Weight395.64 g/mol
Exact Mass394.98
IUPAC Name[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium
SMILESCc1cc([N+](=O)[O-])c([P+](=O)O)cc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7ClF3N2O5P/c1-6-2-9(19(20)21)11(25(22)23)4-10(6)24-12-8(14)3-7(5-18-12)13(15,16)17/h2-5H,1H3/p+1
InChIKeyNHFGXCPHACERKE-UHFFFAOYSA-O
XLogP4.12
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.64
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 24507947
2-chloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-nitrophenyl]-5-nitrobenzamide
CID 58737129
2-[4-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-nitrophenoxy]phenoxy]acetic acid
CID 19932417
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87206404
methyl N-carbamoyl-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-nitrobenzenecarboximidothioate
CID 70440955
1,5-bis[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2,4-dimethylbenzene
CID 141170569
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
N-(6-amino-5-nitro-2-pyridinyl)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
CID 141413628
methyl 2-[C-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-nitrophenyl]-N-hydroxycarbonimidoyl]oxyacetate
CID 88622919
5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine
CID 80880830
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
[4-(4-nitrophenoxy)phenyl] 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 14498577

Frequently Asked Questions

What is the IUPAC name of [5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium?
The IUPAC name of [5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium (CID 70457047) is [5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium?
The canonical SMILES for [5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium is Cc1cc([N+](=O)[O-])c([P+](=O)O)cc1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium?
The InChIKey is NHFGXCPHACERKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H7ClF3N2O5P/c1-6-2-9(19(20)21)11(25(22)23)4-10(6)24-12-8(14)3-7(5-18-12)13(15,16)17/h2-5H,1H3/p+1.
What are the key properties of [5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium?
[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium has a molecular weight of 395.64 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 70457047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).