N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide

C7H4F4N2O — CID 156802974

IUPACN-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide
SMILESO=CNc1cc(C(F)(F)F)ncc1F
InChIInChI=1S/C7H4F4N2O/c8-4-2-12-6(7(9,10)11)1-5(4)13-3-14/h1-3H,(H,12,13,14)
InChIKeyAVZYAILRWRQEES-UHFFFAOYSA-N
MW208.11 g/mol
LogP1.81
Rot. Bonds2

About N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide

N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide (PubChem CID 156802974) has the molecular formula C7H4F4N2O and a molecular weight of 208.11 g/mol. Its IUPAC name is N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide
PubChem CID156802974
Molecular FormulaC7H4F4N2O
Molecular Weight208.11 g/mol
Exact Mass208.03
IUPAC NameN-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide
SMILESO=CNc1cc(C(F)(F)F)ncc1F
InChIInChI=1S/C7H4F4N2O/c8-4-2-12-6(7(9,10)11)1-5(4)13-3-14/h1-3H,(H,12,13,14)
InChIKeyAVZYAILRWRQEES-UHFFFAOYSA-N
XLogP1.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide
CID 64992789
6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine
CID 106747202
N-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]formamide
CID 168653146
N-[3-fluoro-4-(trifluoromethyl)phenyl]formamide
CID 130369056
N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine
CID 69166924
N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]formamide
CID 122489027
N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide
CID 170741251
N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide
CID 169168968
N-(3-amino-5-fluoro-2-pyridinyl)formamide
CID 142602489
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]formamide
CID 143219890
[4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid
CID 126664814
11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156564049

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide?
The IUPAC name of N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide (CID 156802974) is N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide.
What is the SMILES notation for N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide?
The canonical SMILES for N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide is O=CNc1cc(C(F)(F)F)ncc1F.
What is the InChIKey of N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide?
The InChIKey is AVZYAILRWRQEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4N2O/c8-4-2-12-6(7(9,10)11)1-5(4)13-3-14/h1-3H,(H,12,13,14).
What are the key properties of N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide?
N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide has a molecular weight of 208.11 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide is sourced from PubChem (CID 156802974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).