N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide

C7H5ClF3N3O — CID 70973027

IUPACN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide
SMILESO=CNNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H5ClF3N3O/c8-5-1-4(7(9,10)11)2-12-6(5)14-13-3-15/h1-3H,(H,12,14)(H,13,15)
InChIKeySSCMOPHWBPKFFO-UHFFFAOYSA-N
MW239.58 g/mol
LogP1.83
Rot. Bonds3

About N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide

N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide (PubChem CID 70973027) has the molecular formula C7H5ClF3N3O and a molecular weight of 239.58 g/mol. Its IUPAC name is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide.

Molecular Properties

Compound NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide
PubChem CID70973027
Molecular FormulaC7H5ClF3N3O
Molecular Weight239.58 g/mol
Exact Mass239.01
IUPAC NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide
SMILESO=CNNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H5ClF3N3O/c8-5-1-4(7(9,10)11)2-12-6(5)14-13-3-15/h1-3H,(H,12,14)(H,13,15)
InChIKeySSCMOPHWBPKFFO-UHFFFAOYSA-N
XLogP1.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]formamide
CID 145422813
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
N',2-bis[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 5144250
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2-nitrophenyl)hydrazine
CID 141438327
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid
CID 115572196
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60712371
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
3-chloro-N-(2-methylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43081784
cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine
CID 93453945
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide?
The IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide (CID 70973027) is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide.
What is the SMILES notation for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide?
The canonical SMILES for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide is O=CNNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide?
The InChIKey is SSCMOPHWBPKFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N3O/c8-5-1-4(7(9,10)11)2-12-6(5)14-13-3-15/h1-3H,(H,12,14)(H,13,15).
What are the key properties of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide?
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide has a molecular weight of 239.58 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide is sourced from PubChem (CID 70973027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).