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

C9H6ClF3N4O — CID 2725939

IUPAC8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C9H6ClF3N4O/c10-5-1-4(9(11,12)13)2-17-3-6(8(18)16-14)15-7(5)17/h1-3H,14H2,(H,16,18)
InChIKeyJKCCTTSRDAUJTG-UHFFFAOYSA-N
MW278.62 g/mol
LogP1.61
Rot. Bonds1

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

8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide (PubChem CID 2725939) has the molecular formula C9H6ClF3N4O and a molecular weight of 278.62 g/mol. Its IUPAC name is 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
PubChem CID2725939
Molecular FormulaC9H6ClF3N4O
Molecular Weight278.62 g/mol
Exact Mass278.02
IUPAC Name8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C9H6ClF3N4O/c10-5-1-4(9(11,12)13)2-17-3-6(8(18)16-14)15-7(5)17/h1-3H,14H2,(H,16,18)
InChIKeyJKCCTTSRDAUJTG-UHFFFAOYSA-N
XLogP1.61
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
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
N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 2796284
2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide
CID 82530667
[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110208453
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
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile
CID 59377305
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;3-chloro-5-(trifluoromethyl)pyridin-2-amine;ethyl 3-bromo-2-oxopropanoate;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 161334679
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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
The IUPAC name of 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide (CID 2725939) is 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide.
What is the SMILES notation for 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
The canonical SMILES for 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide is NNC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.
What is the InChIKey of 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
The InChIKey is JKCCTTSRDAUJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4O/c10-5-1-4(9(11,12)13)2-17-3-6(8(18)16-14)15-7(5)17/h1-3H,14H2,(H,16,18).
What are the key properties of 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide has a molecular weight of 278.62 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide is sourced from PubChem (CID 2725939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).