N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine

C11H10ClN3O — CID 123732685

IUPACN-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine
SMILESON=c1ccccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H10ClN3O/c12-10-5-4-9(7-13-10)8-15-6-2-1-3-11(15)14-16/h1-7,16H,8H2
InChIKeyNRNPUPXGHCCYPM-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.87
Rot. Bonds2

About N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine

N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine (PubChem CID 123732685) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine
PubChem CID123732685
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC NameN-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine
SMILESON=c1ccccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H10ClN3O/c12-10-5-4-9(7-13-10)8-15-6-2-1-3-11(15)14-16/h1-7,16H,8H2
InChIKeyNRNPUPXGHCCYPM-UHFFFAOYSA-N
XLogP1.87
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2,2-trifluoro-N'-hydroxyethanimidamide
CID 131735176
[(E)-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino] acetate
CID 144865775
N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-3-cyanooxetane-3-carboxamide
CID 91666678
N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 147121475
[1-[(6-chloro-3-pyridinyl)methyl]pyrimidin-2-ylidene]cyanamide
CID 14279659
1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine
CID 146346220
3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one
CID 63312214
2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
CID 178122205
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
CID 22461898
6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 24905713
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
(6-chloro-3-pyridinyl)methyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 34278794

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine?
The IUPAC name of N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine (CID 123732685) is N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine.
What is the SMILES notation for N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine?
The canonical SMILES for N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine is ON=c1ccccn1Cc1ccc(Cl)nc1.
What is the InChIKey of N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine?
The InChIKey is NRNPUPXGHCCYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-10-5-4-9(7-13-10)8-15-6-2-1-3-11(15)14-16/h1-7,16H,8H2.
What are the key properties of N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine?
N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine has a molecular weight of 235.67 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine is sourced from PubChem (CID 123732685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).