7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C11H8ClFN6O — CID 118949810

IUPAC7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cc(Cl)ncc2F)c2n[nH]nc2n1
InChIInChI=1S/C11H8ClFN6O/c12-8-1-5(6(13)3-15-8)4-20-7-2-9(14)16-11-10(7)17-19-18-11/h1-3H,4H2,(H3,14,16,17,18,19)
InChIKeyHATMILNWEYGXRG-UHFFFAOYSA-N
MW294.68 g/mol
LogP1.70
Rot. Bonds3

About 7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118949810) has the molecular formula C11H8ClFN6O and a molecular weight of 294.68 g/mol. Its IUPAC name is 7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118949810
Molecular FormulaC11H8ClFN6O
Molecular Weight294.68 g/mol
Exact Mass294.04
IUPAC Name7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cc(Cl)ncc2F)c2n[nH]nc2n1
InChIInChI=1S/C11H8ClFN6O/c12-8-1-5(6(13)3-15-8)4-20-7-2-9(14)16-11-10(7)17-19-18-11/h1-3H,4H2,(H3,14,16,17,18,19)
InChIKeyHATMILNWEYGXRG-UHFFFAOYSA-N
XLogP1.70
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.68
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-((4-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126678883
7-[(2,6-dichlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678975
7-((3-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126680348
7-[(2-chlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126680363
HIV-1 inhibitor-37
CID 162671625
1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134474007
2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-6-methyl-1H-imidazo[4,5-b]pyridine
CID 162672637
5-(2-chloro-4-pyridinyl)-N-[(4-fluoropiperidin-4-yl)methyl]-4,11-dimethyl-12-oxa-3,6,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-amine
CID 165174784
(11S)-5-(2-chloro-4-pyridinyl)-N-[(4-fluoropiperidin-4-yl)methyl]-4,11-dimethyl-12-oxa-3,6,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-amine
CID 165174798
(11R)-5-(2-chloro-4-pyridinyl)-N-[(4-fluoropiperidin-4-yl)methyl]-4,11-dimethyl-12-oxa-3,6,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-amine
CID 165174836
N-(3-chlorophenyl)-3-[(6-fluoro-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 16735651

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118949810) is 7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cc(Cl)ncc2F)c2n[nH]nc2n1.
What is the InChIKey of 7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is HATMILNWEYGXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN6O/c12-8-1-5(6(13)3-15-8)4-20-7-2-9(14)16-11-10(7)17-19-18-11/h1-3H,4H2,(H3,14,16,17,18,19).
What are the key properties of 7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 294.68 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118949810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).