4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine

C10H9ClF3N4O2P — CID 155313477

IUPAC4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine
SMILESCPNc1nn(CC(F)(F)F)c2c([N+](=O)[O-])ccc(Cl)c12
InChIInChI=1S/C10H9ClF3N4O2P/c1-21-16-9-7-5(11)2-3-6(18(19)20)8(7)17(15-9)4-10(12,13)14/h2-3,21H,4H2,1H3,(H,15,16)
InChIKeyQQDHYQJWCSSEDM-UHFFFAOYSA-N
MW340.63 g/mol
LogP3.80
Rot. Bonds4

About 4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine

4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine (PubChem CID 155313477) has the molecular formula C10H9ClF3N4O2P and a molecular weight of 340.63 g/mol. Its IUPAC name is 4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine
PubChem CID155313477
Molecular FormulaC10H9ClF3N4O2P
Molecular Weight340.63 g/mol
Exact Mass340.01
IUPAC Name4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine
SMILESCPNc1nn(CC(F)(F)F)c2c([N+](=O)[O-])ccc(Cl)c12
InChIInChI=1S/C10H9ClF3N4O2P/c1-21-16-9-7-5(11)2-3-6(18(19)20)8(7)17(15-9)4-10(12,13)14/h2-3,21H,4H2,1H3,(H,15,16)
InChIKeyQQDHYQJWCSSEDM-UHFFFAOYSA-N
XLogP3.80
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.63
LogP ≤ 53.80
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'}

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Related Compounds

4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine
CID 146451145
4-chloro-1-methyl-7-nitroindazol-3-amine;N-(4-chloro-1-methyl-7-nitroindazol-3-yl)methanesulfonamide;N-(4-chloro-1-methyl-7-nitroindazol-3-yl)-N-methylsulfonylmethanesulfonamide;methane
CID 163754779
7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole
CID 149073563
4-chloro-1-methyl-7-nitroindazole
CID 134096067
5-[(3-methyl-4-nitrophenyl)methyl]-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 87299242
4-nitro-1-(2,2,2-trifluoroethyl)pyrazole-5-carbaldehyde
CID 139675130
2-chloro-1-nitro-4-(2,2,2-trifluoroethyl)benzene
CID 151045899
N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 146451125
N-(4-chloro-1-methyl-7-nitroindazol-3-yl)-N-methylsulfinylacetamide
CID 156846985
dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;oxido formate
CID 159287792
dipotassium;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide;N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide;1-ethyl-4-methoxybenzene;hydride;methane;oxido formate
CID 164972639
N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 113456785

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine?
The IUPAC name of 4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine (CID 155313477) is 4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine.
What is the SMILES notation for 4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine?
The canonical SMILES for 4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine is CPNc1nn(CC(F)(F)F)c2c([N+](=O)[O-])ccc(Cl)c12.
What is the InChIKey of 4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine?
The InChIKey is QQDHYQJWCSSEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N4O2P/c1-21-16-9-7-5(11)2-3-6(18(19)20)8(7)17(15-9)4-10(12,13)14/h2-3,21H,4H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine?
4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine has a molecular weight of 340.63 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methylphosphanyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine is sourced from PubChem (CID 155313477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).