N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine

C12H10ClN3 — CID 130239581

IUPACN-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine
SMILES[H]/N=C/c1c(Cl)cccc1Nc1cccnc1
InChIInChI=1S/C12H10ClN3/c13-11-4-1-5-12(10(11)7-14)16-9-3-2-6-15-8-9/h1-8,14,16H/b14-7+
InChIKeyFRWZGVCCGWHLPC-VGOFMYFVSA-N
MW231.69 g/mol
LogP3.48
Rot. Bonds3

About N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine

N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine (PubChem CID 130239581) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine
PubChem CID130239581
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC NameN-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine
SMILES[H]/N=C/c1c(Cl)cccc1Nc1cccnc1
InChIInChI=1S/C12H10ClN3/c13-11-4-1-5-12(10(11)7-14)16-9-3-2-6-15-8-9/h1-8,14,16H/b14-7+
InChIKeyFRWZGVCCGWHLPC-VGOFMYFVSA-N
XLogP3.48
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine?
The IUPAC name of N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine (CID 130239581) is N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine.
What is the SMILES notation for N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine?
The canonical SMILES for N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine is [H]/N=C/c1c(Cl)cccc1Nc1cccnc1.
What is the InChIKey of N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine?
The InChIKey is FRWZGVCCGWHLPC-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H10ClN3/c13-11-4-1-5-12(10(11)7-14)16-9-3-2-6-15-8-9/h1-8,14,16H/b14-7+.
What are the key properties of N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine?
N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine has a molecular weight of 231.69 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methanimidoylphenyl)pyridin-3-amine is sourced from PubChem (CID 130239581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).