3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide

C15H14ClN3O — CID 107060519

IUPAC3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc3c(c2)CCC3)c1Cl
InChIInChI=1S/C15H14ClN3O/c16-13-12(14(17)18)6-7-19-15(13)20-11-5-4-9-2-1-3-10(9)8-11/h4-8H,1-3H2,(H3,17,18)
InChIKeyXKGOUSBLJINEFD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.30
Rot. Bonds3

About 3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide

3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide (PubChem CID 107060519) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide
PubChem CID107060519
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc3c(c2)CCC3)c1Cl
InChIInChI=1S/C15H14ClN3O/c16-13-12(14(17)18)6-7-19-15(13)20-11-5-4-9-2-1-3-10(9)8-11/h4-8H,1-3H2,(H3,17,18)
InChIKeyXKGOUSBLJINEFD-UHFFFAOYSA-N
XLogP3.30
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-3-carboximidamide
CID 28825165
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
CID 107060638
3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide
CID 107060457
5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide
CID 63525016
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide
CID 61398835
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633
3-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468
2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide
CID 61398694
4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine
CID 105383825
3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide (CID 107060519) is 3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccc3c(c2)CCC3)c1Cl.
What is the InChIKey of 3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide?
The InChIKey is XKGOUSBLJINEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-13-12(14(17)18)6-7-19-15(13)20-11-5-4-9-2-1-3-10(9)8-11/h4-8H,1-3H2,(H3,17,18).
What are the key properties of 3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide?
3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide has a molecular weight of 287.75 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide is sourced from PubChem (CID 107060519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).