3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine

C13H11ClF2N2O — CID 141397007

IUPAC3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine
SMILESC[C@H](Oc1cccnc1N)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C13H11ClF2N2O/c1-7(19-10-3-2-6-18-13(10)17)11-8(15)4-5-9(16)12(11)14/h2-7H,1H3,(H2,17,18)/t7-/m0/s1
InChIKeyVGKKLQZCLZOZIR-ZETCQYMHSA-N
MW284.69 g/mol
LogP3.74
Rot. Bonds3

About 3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine

3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine (PubChem CID 141397007) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine
PubChem CID141397007
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine
SMILESC[C@H](Oc1cccnc1N)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C13H11ClF2N2O/c1-7(19-10-3-2-6-18-13(10)17)11-8(15)4-5-9(16)12(11)14/h2-7H,1H3,(H2,17,18)/t7-/m0/s1
InChIKeyVGKKLQZCLZOZIR-ZETCQYMHSA-N
XLogP3.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine
CID 141396970
3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine
CID 141099209
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-ethylpyridin-2-amine
CID 143190028
3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine
CID 129390734
N-[4-[6-amino-5-[1-(2-chloro-3,6-difluorophenyl)ethoxy]-3-pyridinyl]phenyl]methanesulfonamide
CID 21111006
5-(6-bromo-3-pyridinyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 59599434
5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine
CID 59231694
1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol
CID 21111371
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-(dimethylamino)phenyl]pyridin-2-amine
CID 21110793
3-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]prop-2-ynamide
CID 69459031
[3-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]methanol
CID 21110829

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine?
The IUPAC name of 3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine (CID 141397007) is 3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for 3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine is C[C@H](Oc1cccnc1N)c1c(F)ccc(F)c1Cl.
What is the InChIKey of 3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine?
The InChIKey is VGKKLQZCLZOZIR-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c1-7(19-10-3-2-6-18-13(10)17)11-8(15)4-5-9(16)12(11)14/h2-7H,1H3,(H2,17,18)/t7-/m0/s1.
What are the key properties of 3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine?
3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine has a molecular weight of 284.69 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 141397007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).