N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine

C10H4ClF6N3O — CID 126963652

IUPACN-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine
SMILESON=C(c1cnc2c(Cl)cc(C(F)(F)F)cn12)C(F)(F)F
InChIInChI=1S/C10H4ClF6N3O/c11-5-1-4(9(12,13)14)3-20-6(2-18-8(5)20)7(19-21)10(15,16)17/h1-3,21H
InChIKeyURVFEROXYXOLJR-UHFFFAOYSA-N
MW331.60 g/mol
LogP3.75
Rot. Bonds1

About N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine

N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine (PubChem CID 126963652) has the molecular formula C10H4ClF6N3O and a molecular weight of 331.60 g/mol. Its IUPAC name is N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine
PubChem CID126963652
Molecular FormulaC10H4ClF6N3O
Molecular Weight331.60 g/mol
Exact Mass330.99
IUPAC NameN-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine
SMILESON=C(c1cnc2c(Cl)cc(C(F)(F)F)cn12)C(F)(F)F
InChIInChI=1S/C10H4ClF6N3O/c11-5-1-4(9(12,13)14)3-20-6(2-18-8(5)20)7(19-21)10(15,16)17/h1-3,21H
InChIKeyURVFEROXYXOLJR-UHFFFAOYSA-N
XLogP3.75
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 163342934
1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82029153
3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 151278989
3-(bromomethyl)-8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 75176233
2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 55125983
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine
CID 3743948
1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine
CID 81161102
8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67335834
1-bromo-8-chloro-3,6-bis(trifluoromethyl)imidazo[1,5-a]pyridine
CID 103596110
8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 142870114
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]-N-(dimethylaminomethylidene)prop-2-enamide
CID 166681272
N,N-dimethyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118379021

Frequently Asked Questions

What is the IUPAC name of N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine?
The IUPAC name of N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine (CID 126963652) is N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine?
The canonical SMILES for N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine is ON=C(c1cnc2c(Cl)cc(C(F)(F)F)cn12)C(F)(F)F.
What is the InChIKey of N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine?
The InChIKey is URVFEROXYXOLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF6N3O/c11-5-1-4(9(12,13)14)3-20-6(2-18-8(5)20)7(19-21)10(15,16)17/h1-3,21H.
What are the key properties of N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine?
N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine has a molecular weight of 331.60 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine is sourced from PubChem (CID 126963652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).