methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate

C16H10F6N2O3 — CID 33442469

IUPACmethyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1
InChIInChI=1S/C16H10F6N2O3/c1-27-14(26)8-2-3-12(23-7-8)13(25)24-11-5-9(15(17,18)19)4-10(6-11)16(20,21)22/h2-7H,1H3,(H,24,25)
InChIKeyAHLGMPVAFNGFOA-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.16
Rot. Bonds3

About methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 33442469) has the molecular formula C16H10F6N2O3 and a molecular weight of 392.26 g/mol. Its IUPAC name is methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
PubChem CID33442469
Molecular FormulaC16H10F6N2O3
Molecular Weight392.26 g/mol
Exact Mass392.06
IUPAC Namemethyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1
InChIInChI=1S/C16H10F6N2O3/c1-27-14(26)8-2-3-12(23-7-8)13(25)24-11-5-9(15(17,18)19)4-10(6-11)16(20,21)22/h2-7H,1H3,(H,24,25)
InChIKeyAHLGMPVAFNGFOA-UHFFFAOYSA-N
XLogP4.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 53356057
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 4810797
methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate
CID 22176524
methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate
CID 32642819
methyl 6-(5,6,6a,7,8,9-hexahydro-4H-phenalen-2-ylcarbamoyl)pyridine-3-carboxylate
CID 67391040
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 116700198
methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55559964
methyl 6-(3-tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-trienylcarbamoyl)pyridine-3-carboxylate
CID 67390999
methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198170

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate (CID 33442469) is methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1.
What is the InChIKey of methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is AHLGMPVAFNGFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2O3/c1-27-14(26)8-2-3-12(23-7-8)13(25)24-11-5-9(15(17,18)19)4-10(6-11)16(20,21)22/h2-7H,1H3,(H,24,25).
What are the key properties of methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 392.26 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 33442469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).