2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine

C13H10F4N2O — CID 79904677

IUPAC2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
SMILESCOCc1cccc(Nc2c(F)c(F)nc(F)c2F)c1
InChIInChI=1S/C13H10F4N2O/c1-20-6-7-3-2-4-8(5-7)18-11-9(14)12(16)19-13(17)10(11)15/h2-5H,6H2,1H3,(H,18,19)
InChIKeyLAHAMRQDWJBHNZ-UHFFFAOYSA-N
MW286.23 g/mol
LogP3.53
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine (PubChem CID 79904677) has the molecular formula C13H10F4N2O and a molecular weight of 286.23 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
PubChem CID79904677
Molecular FormulaC13H10F4N2O
Molecular Weight286.23 g/mol
Exact Mass286.07
IUPAC Name2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
SMILESCOCc1cccc(Nc2c(F)c(F)nc(F)c2F)c1
InChIInChI=1S/C13H10F4N2O/c1-20-6-7-3-2-4-8(5-7)18-11-9(14)12(16)19-13(17)10(11)15/h2-5H,6H2,1H3,(H,18,19)
InChIKeyLAHAMRQDWJBHNZ-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
3-(methoxymethyl)-N-methylaniline
CID 23080905
6-N-[3-(methoxymethyl)phenyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717930
4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112726133
8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine
CID 119045645
methyl 3-amino-2-[3-(methoxymethyl)anilino]benzoate
CID 115934435
2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine
CID 133372663
2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436854
5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile
CID 63669379
2-[3-(methoxymethyl)anilino]-3-methylbenzenecarbothioamide
CID 107108022
3-(methoxymethyl)-N-(4,4,4-trifluorobutyl)aniline
CID 113326329
5-bromo-4-N-[3-(methoxymethyl)phenyl]-2-N-methylpyrimidine-2,4-diamine
CID 80801794

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine (CID 79904677) is 2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine is COCc1cccc(Nc2c(F)c(F)nc(F)c2F)c1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine?
The InChIKey is LAHAMRQDWJBHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O/c1-20-6-7-3-2-4-8(5-7)18-11-9(14)12(16)19-13(17)10(11)15/h2-5H,6H2,1H3,(H,18,19).
What are the key properties of 2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine has a molecular weight of 286.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 79904677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).