3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine

C13H13F2N3O — CID 62991499

IUPAC3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
SMILESCOc1cc(CNc2c(N)ccc(F)c2F)ccn1
InChIInChI=1S/C13H13F2N3O/c1-19-11-6-8(4-5-17-11)7-18-13-10(16)3-2-9(14)12(13)15/h2-6,18H,7,16H2,1H3
InChIKeyVGAOKLBASFFLAE-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.56
Rot. Bonds4

About 3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine

3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine (PubChem CID 62991499) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
PubChem CID62991499
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
SMILESCOc1cc(CNc2c(N)ccc(F)c2F)ccn1
InChIInChI=1S/C13H13F2N3O/c1-19-11-6-8(4-5-17-11)7-18-13-10(16)3-2-9(14)12(13)15/h2-6,18H,7,16H2,1H3
InChIKeyVGAOKLBASFFLAE-UHFFFAOYSA-N
XLogP2.56
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 62533179
3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 62533324
4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 66100905
3,5-difluoro-4-[(2-methoxy-4-pyridinyl)methylamino]benzenecarbothioamide
CID 81286754
4-bromo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 65342517
2-amino-3-fluoro-6-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 83207084
2-N-[(3-chloro-4-fluorophenyl)methyl]-3,4-difluorobenzene-1,2-diamine
CID 62533702
3,4-difluoro-2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 55086262
3,4-difluoro-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 62533698
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80831217
2-N-[(3-chlorophenyl)methyl]-3,4-difluorobenzene-1,2-diamine
CID 62533701
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine (CID 62991499) is 3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine is COc1cc(CNc2c(N)ccc(F)c2F)ccn1.
What is the InChIKey of 3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine?
The InChIKey is VGAOKLBASFFLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-19-11-6-8(4-5-17-11)7-18-13-10(16)3-2-9(14)12(13)15/h2-6,18H,7,16H2,1H3.
What are the key properties of 3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine?
3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine has a molecular weight of 265.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 62991499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).