(2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium

C14H14ClFN3O3+ — CID 9243923

IUPAC(2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium
SMILESC[NH+](Cc1c(F)cccc1Cl)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C14H13ClFN3O3/c1-17(8-11-12(15)3-2-4-13(11)16)9-18-7-10(19(21)22)5-6-14(18)20/h2-7H,8-9H2,1H3/p+1
InChIKeyZUFKLJZLCBAJHR-UHFFFAOYSA-O
MW326.74 g/mol
LogP1.22
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium

(2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium (PubChem CID 9243923) has the molecular formula C14H14ClFN3O3+ and a molecular weight of 326.74 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium
PubChem CID9243923
Molecular FormulaC14H14ClFN3O3+
Molecular Weight326.74 g/mol
Exact Mass326.07
IUPAC Name(2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium
SMILESC[NH+](Cc1c(F)cccc1Cl)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C14H13ClFN3O3/c1-17(8-11-12(15)3-2-4-13(11)16)9-18-7-10(19(21)22)5-6-14(18)20/h2-7H,8-9H2,1H3/p+1
InChIKeyZUFKLJZLCBAJHR-UHFFFAOYSA-O
XLogP1.22
TPSA69.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-fluorophenyl)methyl-methyl-[2-(4-nitroanilino)-2-oxoethyl]azanium
CID 9197353
(5-bromo-2-methoxyphenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium
CID 9239773
1-chloro-3-fluoro-2-[(4-nitrophenyl)sulfanylmethyl]benzene
CID 2826272
(2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
CID 9244103
1-[(2,6-dichlorophenyl)methyl]-3-methyl-5-nitropyridin-2-one
CID 84570353
(2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
CID 6938049
(2-chloro-6-fluorophenyl)methyl-methyl-[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]azanium
CID 2657945
1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-one
CID 166189610
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4-nitroaniline
CID 43686219
(2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium
CID 9117967
3-(2-chloro-6-fluorophenyl)-2-(4-nitrophenyl)propanenitrile
CID 82139808
N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382694

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium (CID 9243923) is (2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium is C[NH+](Cc1c(F)cccc1Cl)Cn1cc([N+](=O)[O-])ccc1=O.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium?
The InChIKey is ZUFKLJZLCBAJHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13ClFN3O3/c1-17(8-11-12(15)3-2-4-13(11)16)9-18-7-10(19(21)22)5-6-14(18)20/h2-7H,8-9H2,1H3/p+1.
What are the key properties of (2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium?
(2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium has a molecular weight of 326.74 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium is sourced from PubChem (CID 9243923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).