3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine

C13H12ClFN2O — CID 102855362

IUPAC3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine
SMILESCc1ccc(OCc2cccc(Cl)c2F)c(N)n1
InChIInChI=1S/C13H12ClFN2O/c1-8-5-6-11(13(16)17-8)18-7-9-3-2-4-10(14)12(9)15/h2-6H,7H2,1H3,(H2,16,17)
InChIKeyHVNSFRVRNIJSSM-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.34
Rot. Bonds3

About 3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine

3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine (PubChem CID 102855362) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine
PubChem CID102855362
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine
SMILESCc1ccc(OCc2cccc(Cl)c2F)c(N)n1
InChIInChI=1S/C13H12ClFN2O/c1-8-5-6-11(13(16)17-8)18-7-9-3-2-4-10(14)12(9)15/h2-6H,7H2,1H3,(H2,16,17)
InChIKeyHVNSFRVRNIJSSM-UHFFFAOYSA-N
XLogP3.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353
3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine
CID 62197636
8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine
CID 102855349
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
3-[(2,5-dimethylphenyl)methoxy]-6-methylpyridin-2-amine
CID 2735321
2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine
CID 103695221
3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline
CID 102855336
3-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 102858082
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692529
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
(1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 102856322
3-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-4-fluorobenzonitrile
CID 55036974

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine (CID 102855362) is 3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine is Cc1ccc(OCc2cccc(Cl)c2F)c(N)n1.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine?
The InChIKey is HVNSFRVRNIJSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8-5-6-11(13(16)17-8)18-7-9-3-2-4-10(14)12(9)15/h2-6H,7H2,1H3,(H2,16,17).
What are the key properties of 3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine?
3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine has a molecular weight of 266.70 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine is sourced from PubChem (CID 102855362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).