4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine

C17H13ClFN3O — CID 170746530

IUPAC4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine
SMILESCc1ccc(Oc2ccnc(Nc3ccccn3)c2)c(Cl)c1F
InChIInChI=1S/C17H13ClFN3O/c1-11-5-6-13(16(18)17(11)19)23-12-7-9-21-15(10-12)22-14-4-2-3-8-20-14/h2-10H,1H3,(H,20,21,22)
InChIKeyRQVSPMVJJNHXSS-UHFFFAOYSA-N
MW329.76 g/mol
LogP5.11
Rot. Bonds4

About 4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine

4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine (PubChem CID 170746530) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is 4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine
PubChem CID170746530
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC Name4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine
SMILESCc1ccc(Oc2ccnc(Nc3ccccn3)c2)c(Cl)c1F
InChIInChI=1S/C17H13ClFN3O/c1-11-5-6-13(16(18)17(11)19)23-12-7-9-21-15(10-12)22-14-4-2-3-8-20-14/h2-10H,1H3,(H,20,21,22)
InChIKeyRQVSPMVJJNHXSS-UHFFFAOYSA-N
XLogP5.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.76
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoro-4-methylphenoxy)-N-phenylpyridin-2-amine
CID 170746492
4-(4-fluoro-2-methylphenoxy)-N-methylpyridin-2-amine
CID 113368178
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-phenylpyridin-2-amine
CID 87630526
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine
CID 68849847
4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine
CID 130369699
1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea
CID 155512123
4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine
CID 118168496
4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
CID 67252307
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
CID 59543950
[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol
CID 68851106

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine (CID 170746530) is 4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine is Cc1ccc(Oc2ccnc(Nc3ccccn3)c2)c(Cl)c1F.
What is the InChIKey of 4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is RQVSPMVJJNHXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c1-11-5-6-13(16(18)17(11)19)23-12-7-9-21-15(10-12)22-14-4-2-3-8-20-14/h2-10H,1H3,(H,20,21,22).
What are the key properties of 4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine?
4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 329.76 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 170746530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).