N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide

C11H6F4N4O — CID 170741251

IUPACN-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide
SMILESO=CNc1cnc(-c2ncncc2F)c(C(F)(F)F)c1
InChIInChI=1S/C11H6F4N4O/c12-8-3-16-4-18-10(8)9-7(11(13,14)15)1-6(2-17-9)19-5-20/h1-5H,(H,19,20)
InChIKeyLUXFRTVHGPTGDJ-UHFFFAOYSA-N
MW286.19 g/mol
LogP2.26
Rot. Bonds3

About N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide

N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide (PubChem CID 170741251) has the molecular formula C11H6F4N4O and a molecular weight of 286.19 g/mol. Its IUPAC name is N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide
PubChem CID170741251
Molecular FormulaC11H6F4N4O
Molecular Weight286.19 g/mol
Exact Mass286.05
IUPAC NameN-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide
SMILESO=CNc1cnc(-c2ncncc2F)c(C(F)(F)F)c1
InChIInChI=1S/C11H6F4N4O/c12-8-3-16-4-18-10(8)9-7(11(13,14)15)1-6(2-17-9)19-5-20/h1-5H,(H,19,20)
InChIKeyLUXFRTVHGPTGDJ-UHFFFAOYSA-N
XLogP2.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 170741210
N-[3-fluoro-4-(trifluoromethyl)phenyl]formamide
CID 130369056
5-fluoro-4-(trifluoromethyl)pyrimidine
CID 91431154
(3S,5R)-3-[1-(difluoromethyl)pyrazol-4-yl]-11-fluoro-N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 170741166
5-(trifluoromethyl)pyrimidine-4-carbaldehyde
CID 123604776
N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide
CID 156802974
N-[3-methyl-4-(trifluoromethyl)phenyl]formamide
CID 142387877
4-[2-(trifluoromethyl)phenyl]pyrimidine-5-carbaldehyde
CID 118818673
N-[3,5-bis(trifluoromethyl)phenyl]formamide
CID 11322837
hydron;N-(1,6-naphthyridin-3-yl)formamide
CID 174959508
4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine
CID 107290360
N-(3,5-diformamidophenyl)formamide
CID 87263269

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide?
The IUPAC name of N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide (CID 170741251) is N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide.
What is the SMILES notation for N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide?
The canonical SMILES for N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide is O=CNc1cnc(-c2ncncc2F)c(C(F)(F)F)c1.
What is the InChIKey of N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide?
The InChIKey is LUXFRTVHGPTGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N4O/c12-8-3-16-4-18-10(8)9-7(11(13,14)15)1-6(2-17-9)19-5-20/h1-5H,(H,19,20).
What are the key properties of N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide?
N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide has a molecular weight of 286.19 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoropyrimidin-4-yl)-5-(trifluoromethyl)-3-pyridinyl]formamide is sourced from PubChem (CID 170741251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).