5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine

C11H7ClN4O — CID 59849951

IUPAC5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine
SMILES[C-]#[N+]c1ccc(Oc2ncc(Cl)cc2N)cn1
InChIInChI=1S/C11H7ClN4O/c1-14-10-3-2-8(6-15-10)17-11-9(13)4-7(12)5-16-11/h2-6H,13H2
InChIKeyOGPBNWCOEBPHMG-UHFFFAOYSA-N
MW246.66 g/mol
LogP3.06
Rot. Bonds2

About 5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine

5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine (PubChem CID 59849951) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is 5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine
PubChem CID59849951
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC Name5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine
SMILES[C-]#[N+]c1ccc(Oc2ncc(Cl)cc2N)cn1
InChIInChI=1S/C11H7ClN4O/c1-14-10-3-2-8(6-15-10)17-11-9(13)4-7(12)5-16-11/h2-6H,13H2
InChIKeyOGPBNWCOEBPHMG-UHFFFAOYSA-N
XLogP3.06
TPSA65.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(6-methyl-3-pyridinyl)oxy]pyridin-3-amine
CID 59849985
5-chloro-2-(4-ethoxyphenoxy)pyridin-3-amine
CID 79021347
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate
CID 59849870
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine
CID 89354876
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
2-(3-chloro-4-fluorophenoxy)-5-methylpyridin-3-amine
CID 66278255
2-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenol
CID 86116326
5-bromo-2-(3-bromophenoxy)pyridin-3-amine
CID 61228290
3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile
CID 59849804
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727242

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine?
The IUPAC name of 5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine (CID 59849951) is 5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine.
What is the SMILES notation for 5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine?
The canonical SMILES for 5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine is [C-]#[N+]c1ccc(Oc2ncc(Cl)cc2N)cn1.
What is the InChIKey of 5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine?
The InChIKey is OGPBNWCOEBPHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c1-14-10-3-2-8(6-15-10)17-11-9(13)4-7(12)5-16-11/h2-6H,13H2.
What are the key properties of 5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine?
5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine has a molecular weight of 246.66 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine is sourced from PubChem (CID 59849951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).