N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide

C8H10ClN3 — CID 22461898

IUPACN'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
SMILESC/C(N)=N\Cc1ccc(Cl)nc1
InChIInChI=1S/C8H10ClN3/c1-6(10)11-4-7-2-3-8(9)12-5-7/h2-3,5H,4H2,1H3,(H2,10,11)
InChIKeyQEVNMQJWLOYWOR-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.61
Rot. Bonds2

About N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide

N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide (PubChem CID 22461898) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
PubChem CID22461898
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC NameN'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
SMILESC/C(N)=N\Cc1ccc(Cl)nc1
InChIInChI=1S/C8H10ClN3/c1-6(10)11-4-7-2-3-8(9)12-5-7/h2-3,5H,4H2,1H3,(H2,10,11)
InChIKeyQEVNMQJWLOYWOR-UHFFFAOYSA-N
XLogP1.61
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine
CID 143232776
2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111041924
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110916460
2-[(6-chloro-3-pyridinyl)methylimino]-1-nitropropan-1-amine
CID 57013624
2-[(6-chloro-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110916458
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986
2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
CID 111041913
N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041968
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
2-[(6-chloro-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111041944
N-amino-N'-[(6-chloro-3-pyridinyl)methyl]-2-nitroethanimidamide
CID 54282921
2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-(2-ethylbutyl)guanidine
CID 111891297

Frequently Asked Questions

What is the IUPAC name of N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide?
The IUPAC name of N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide (CID 22461898) is N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide?
The canonical SMILES for N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide is C/C(N)=N\Cc1ccc(Cl)nc1.
What is the InChIKey of N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide?
The InChIKey is QEVNMQJWLOYWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-6(10)11-4-7-2-3-8(9)12-5-7/h2-3,5H,4H2,1H3,(H2,10,11).
What are the key properties of N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide?
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide has a molecular weight of 183.64 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide is sourced from PubChem (CID 22461898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).