3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile

C15H11ClF3N3O2 — CID 133351459

IUPAC3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
SMILESCOc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1OCC(F)(F)F
InChIInChI=1S/C15H11ClF3N3O2/c1-23-12-4-2-9(6-13(12)24-8-15(17,18)19)21-14-5-3-10(16)11(7-20)22-14/h2-6H,8H2,1H3,(H,21,22)
InChIKeyNWMIHDWTNBCHJH-UHFFFAOYSA-N
MW357.72 g/mol
LogP4.30
Rot. Bonds5

About 3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile

3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile (PubChem CID 133351459) has the molecular formula C15H11ClF3N3O2 and a molecular weight of 357.72 g/mol. Its IUPAC name is 3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
PubChem CID133351459
Molecular FormulaC15H11ClF3N3O2
Molecular Weight357.72 g/mol
Exact Mass357.05
IUPAC Name3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
SMILESCOc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1OCC(F)(F)F
InChIInChI=1S/C15H11ClF3N3O2/c1-23-12-4-2-9(6-13(12)24-8-15(17,18)19)21-14-5-3-10(16)11(7-20)22-14/h2-6H,8H2,1H3,(H,21,22)
InChIKeyNWMIHDWTNBCHJH-UHFFFAOYSA-N
XLogP4.30
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile
CID 133334072
6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile
CID 133418635
6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile
CID 133418637
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 66218090
N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 99844656
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide
CID 55710580
4-methoxy-3-(2,2,2-trifluoroethoxy)phenol
CID 167312142
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133391829
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile (CID 133351459) is 3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile is COc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1OCC(F)(F)F.
What is the InChIKey of 3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile?
The InChIKey is NWMIHDWTNBCHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O2/c1-23-12-4-2-9(6-13(12)24-8-15(17,18)19)21-14-5-3-10(16)11(7-20)22-14/h2-6H,8H2,1H3,(H,21,22).
What are the key properties of 3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile?
3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile has a molecular weight of 357.72 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 133351459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).