2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine

C12H12FN3O — CID 114837203

IUPAC2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
SMILESCOc1cc(Nc2ccc(N)cn2)ccc1F
InChIInChI=1S/C12H12FN3O/c1-17-11-6-9(3-4-10(11)13)16-12-5-2-8(14)7-15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKeyFBLLZHIKEHRPBV-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.56
Rot. Bonds3

About 2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine

2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine (PubChem CID 114837203) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
PubChem CID114837203
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
SMILESCOc1cc(Nc2ccc(N)cn2)ccc1F
InChIInChI=1S/C12H12FN3O/c1-17-11-6-9(3-4-10(11)13)16-12-5-2-8(14)7-15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKeyFBLLZHIKEHRPBV-UHFFFAOYSA-N
XLogP2.56
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 66218090
2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 61467027
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137
6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114840486
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 114837165
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976084
N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 114840671
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114841210

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine (CID 114837203) is 2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine is COc1cc(Nc2ccc(N)cn2)ccc1F.
What is the InChIKey of 2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine?
The InChIKey is FBLLZHIKEHRPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-17-11-6-9(3-4-10(11)13)16-12-5-2-8(14)7-15-12/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine?
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine has a molecular weight of 233.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 114837203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).