1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol

C15H15Cl2FN2O3 — CID 21111371

IUPAC1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol
SMILESC[C@@H](Oc1cc(C(O)CO)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H15Cl2FN2O3/c1-7(13-9(16)2-3-10(18)14(13)17)23-12-4-8(11(22)6-21)5-20-15(12)19/h2-5,7,11,21-22H,6H2,1H3,(H2,19,20)/t7-,11?/m1/s1
InChIKeyUGFQRCLAFXAJJF-DKSCNQEISA-N
MW361.20 g/mol
LogP3.28
Rot. Bonds5

About 1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol

1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol (PubChem CID 21111371) has the molecular formula C15H15Cl2FN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is 1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol
PubChem CID21111371
Molecular FormulaC15H15Cl2FN2O3
Molecular Weight361.20 g/mol
Exact Mass360.04
IUPAC Name1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol
SMILESC[C@@H](Oc1cc(C(O)CO)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H15Cl2FN2O3/c1-7(13-9(16)2-3-10(18)14(13)17)23-12-4-8(11(22)6-21)5-20-15(12)19/h2-5,7,11,21-22H,6H2,1H3,(H2,19,20)/t7-,11?/m1/s1
InChIKeyUGFQRCLAFXAJJF-DKSCNQEISA-N
XLogP3.28
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-ethylpyridin-2-amine
CID 143190028
3-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]prop-2-ynamide
CID 69459031
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
[3-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]methanol
CID 21110829
5-(6-bromo-3-pyridinyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 59599434
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
CID 54579007
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-(dimethylamino)phenyl]pyridin-2-amine
CID 21110793
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 21111394
3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 99775714
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 59599412
3-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]prop-2-ynylurea
CID 21111143
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile;5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 160915595

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol?
The IUPAC name of 1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol (CID 21111371) is 1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol.
What is the SMILES notation for 1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol?
The canonical SMILES for 1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol is C[C@@H](Oc1cc(C(O)CO)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol?
The InChIKey is UGFQRCLAFXAJJF-DKSCNQEISA-N. The full InChI is InChI=1S/C15H15Cl2FN2O3/c1-7(13-9(16)2-3-10(18)14(13)17)23-12-4-8(11(22)6-21)5-20-15(12)19/h2-5,7,11,21-22H,6H2,1H3,(H2,19,20)/t7-,11?/m1/s1.
What are the key properties of 1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol?
1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol has a molecular weight of 361.20 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol is sourced from PubChem (CID 21111371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).