4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine

C13H14FN3O — CID 66756828

IUPAC4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine
SMILESCOc1cc(N)cc(N)c1-c1cc(C)cnc1F
InChIInChI=1S/C13H14FN3O/c1-7-3-9(13(14)17-6-7)12-10(16)4-8(15)5-11(12)18-2/h3-6H,15-16H2,1-2H3
InChIKeyRWXZCDPOFGHIDT-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.37
Rot. Bonds2

About 4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine

4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine (PubChem CID 66756828) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine.

Molecular Properties

Compound Name4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine
PubChem CID66756828
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine
SMILESCOc1cc(N)cc(N)c1-c1cc(C)cnc1F
InChIInChI=1S/C13H14FN3O/c1-7-3-9(13(14)17-6-7)12-10(16)4-8(15)5-11(12)18-2/h3-6H,15-16H2,1-2H3
InChIKeyRWXZCDPOFGHIDT-UHFFFAOYSA-N
XLogP2.37
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine?
The IUPAC name of 4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine (CID 66756828) is 4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine.
What is the SMILES notation for 4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine?
The canonical SMILES for 4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine is COc1cc(N)cc(N)c1-c1cc(C)cnc1F.
What is the InChIKey of 4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine?
The InChIKey is RWXZCDPOFGHIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-7-3-9(13(14)17-6-7)12-10(16)4-8(15)5-11(12)18-2/h3-6H,15-16H2,1-2H3.
What are the key properties of 4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine?
4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine has a molecular weight of 247.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxybenzene-1,3-diamine is sourced from PubChem (CID 66756828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).