2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C15H17ClFN3O — CID 43261733

IUPAC2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCC(C)(C)Oc1nc(Nc2ccc(F)c(Cl)c2)ccc1N
InChIInChI=1S/C15H17ClFN3O/c1-15(2,3)21-14-12(18)6-7-13(20-14)19-9-4-5-11(17)10(16)8-9/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyFFCCOIYEFXWTAD-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.38
Rot. Bonds3

About 2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 43261733) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID43261733
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCC(C)(C)Oc1nc(Nc2ccc(F)c(Cl)c2)ccc1N
InChIInChI=1S/C15H17ClFN3O/c1-15(2,3)21-14-12(18)6-7-13(20-14)19-9-4-5-11(17)10(16)8-9/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyFFCCOIYEFXWTAD-UHFFFAOYSA-N
XLogP4.38
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63406117
2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43261620
4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 80755292
6-ethoxy-2-N-(4-fluoro-3-methylphenyl)pyridine-2,5-diamine
CID 55118976
2-N-(3,5-dichlorophenyl)-6-methoxypyridine-2,5-diamine
CID 43261448
6-tert-butyl-2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 167767387
2-N-ethyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43260941
6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 82717738
4-N-(3-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 29067548
1-[2-amino-5-(3-chloro-4-fluoroanilino)phenyl]ethanone
CID 104612312
2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine
CID 54954761
2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
CID 104775522

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 43261733) is 2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is CC(C)(C)Oc1nc(Nc2ccc(F)c(Cl)c2)ccc1N.
What is the InChIKey of 2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is FFCCOIYEFXWTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-15(2,3)21-14-12(18)6-7-13(20-14)19-9-4-5-11(17)10(16)8-9/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 309.77 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 43261733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).