N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide

C17H9F8N5O — CID 89152151

IUPACN',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
SMILESO=C(NNc1ncc(C(F)(F)F)cc1F)c1cccn1-c1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C17H9F8N5O/c18-10-4-8(16(20,21)22)6-26-13(10)28-29-15(31)12-2-1-3-30(12)14-11(19)5-9(7-27-14)17(23,24)25/h1-7H,(H,26,28)(H,29,31)
InChIKeyDHFAAHHYZFLWHV-UHFFFAOYSA-N
MW451.28 g/mol
LogP4.34
Rot. Bonds4

About N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide

N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide (PubChem CID 89152151) has the molecular formula C17H9F8N5O and a molecular weight of 451.28 g/mol. Its IUPAC name is N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
PubChem CID89152151
Molecular FormulaC17H9F8N5O
Molecular Weight451.28 g/mol
Exact Mass451.07
IUPAC NameN',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
SMILESO=C(NNc1ncc(C(F)(F)F)cc1F)c1cccn1-c1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C17H9F8N5O/c18-10-4-8(16(20,21)22)6-26-13(10)28-29-15(31)12-2-1-3-30(12)14-11(19)5-9(7-27-14)17(23,24)25/h1-7H,(H,26,28)(H,29,31)
InChIKeyDHFAAHHYZFLWHV-UHFFFAOYSA-N
XLogP4.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.28
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
CID 69084526
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(2,4,6-trichlorophenyl)pyrrole-2-carbohydrazide
CID 87686488
1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
CID 87687911
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]urea
CID 3838553
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 69083553
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 3702021
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide
CID 69086376
2-bromo-1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanone
CID 87686993
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 143866892
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide
CID 69084581
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide
CID 170631286
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrole-2-carboxamide
CID 87686496

Frequently Asked Questions

What is the IUPAC name of N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide?
The IUPAC name of N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide (CID 89152151) is N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide.
What is the SMILES notation for N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide?
The canonical SMILES for N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide is O=C(NNc1ncc(C(F)(F)F)cc1F)c1cccn1-c1ncc(C(F)(F)F)cc1F.
What is the InChIKey of N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide?
The InChIKey is DHFAAHHYZFLWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F8N5O/c18-10-4-8(16(20,21)22)6-26-13(10)28-29-15(31)12-2-1-3-30(12)14-11(19)5-9(7-27-14)17(23,24)25/h1-7H,(H,26,28)(H,29,31).
What are the key properties of N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide?
N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide has a molecular weight of 451.28 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide is sourced from PubChem (CID 89152151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).