8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide

C18H8Cl2F6N6O2 — CID 110208477

IUPAC8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C18H8Cl2F6N6O2/c19-9-1-7(17(21,22)23)3-31-5-11(27-13(9)31)15(33)29-30-16(34)12-6-32-4-8(18(24,25)26)2-10(20)14(32)28-12/h1-6H,(H,29,33)(H,30,34)
InChIKeyMJUQFRIYIFLFRC-UHFFFAOYSA-N
MW525.20 g/mol
LogP4.40
Rot. Bonds2

About 8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide

8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide (PubChem CID 110208477) has the molecular formula C18H8Cl2F6N6O2 and a molecular weight of 525.20 g/mol. Its IUPAC name is 8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
PubChem CID110208477
Molecular FormulaC18H8Cl2F6N6O2
Molecular Weight525.20 g/mol
Exact Mass524.00
IUPAC Name8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C18H8Cl2F6N6O2/c19-9-1-7(17(21,22)23)3-31-5-11(27-13(9)31)15(33)29-30-16(34)12-6-32-4-8(18(24,25)26)2-10(20)14(32)28-12/h1-6H,(H,29,33)(H,30,34)
InChIKeyMJUQFRIYIFLFRC-UHFFFAOYSA-N
XLogP4.40
TPSA92.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.20
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 2725939
8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208487
N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208474
8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride
CID 162331453
[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110208453
N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 2796284
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile
CID 59377305
2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide
CID 82530667
8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 90900083
6,8-dichloro-N-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 56689841
8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 172966841
N-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-4-methylbenzamide
CID 110208508

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
The IUPAC name of 8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide (CID 110208477) is 8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide.
What is the SMILES notation for 8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
The canonical SMILES for 8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide is O=C(NNC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.
What is the InChIKey of 8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
The InChIKey is MJUQFRIYIFLFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl2F6N6O2/c19-9-1-7(17(21,22)23)3-31-5-11(27-13(9)31)15(33)29-30-16(34)12-6-32-4-8(18(24,25)26)2-10(20)14(32)28-12/h1-6H,(H,29,33)(H,30,34).
What are the key properties of 8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide has a molecular weight of 525.20 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide is sourced from PubChem (CID 110208477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).