N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride

C19H15ClN2 — CID 10244675

IUPACN-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride
SMILESCl/C(=N\Cc1ccccc1-c1cccnc1)c1ccccc1
InChIInChI=1S/C19H15ClN2/c20-19(15-7-2-1-3-8-15)22-14-17-9-4-5-11-18(17)16-10-6-12-21-13-16/h1-13H,14H2/b22-19-
InChIKeyWPLAWSXJVGVLHF-QOCHGBHMSA-N
MW306.80 g/mol
LogP4.93
Rot. Bonds4

About N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride

N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride (PubChem CID 10244675) has the molecular formula C19H15ClN2 and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride
PubChem CID10244675
Molecular FormulaC19H15ClN2
Molecular Weight306.80 g/mol
Exact Mass306.09
IUPAC NameN-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride
SMILESCl/C(=N\Cc1ccccc1-c1cccnc1)c1ccccc1
InChIInChI=1S/C19H15ClN2/c20-19(15-7-2-1-3-8-15)22-14-17-9-4-5-11-18(17)16-10-6-12-21-13-16/h1-13H,14H2/b22-19-
InChIKeyWPLAWSXJVGVLHF-QOCHGBHMSA-N
XLogP4.93
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
CID 89497165
N,N-dimethyl-1-(2-pyridin-3-ylphenyl)methanamine
CID 90921130
3-[2-(3-methylbutyl)phenyl]pyridine
CID 159924713
3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine
CID 90713874
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
3-(2-methylphenyl)pyridine
CID 4133191
(2,6-dipyridin-3-ylphenyl)methanol
CID 46316451
2-(2,3-dipyridin-3-ylphenyl)pyrimidine
CID 155147511
(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
CID 134799669
3-(chloromethyl)-4-phenylpyridine
CID 130967396
bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide
CID 173104208

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride?
The IUPAC name of N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride (CID 10244675) is N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride.
What is the SMILES notation for N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride?
The canonical SMILES for N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride is Cl/C(=N\Cc1ccccc1-c1cccnc1)c1ccccc1.
What is the InChIKey of N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride?
The InChIKey is WPLAWSXJVGVLHF-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H15ClN2/c20-19(15-7-2-1-3-8-15)22-14-17-9-4-5-11-18(17)16-10-6-12-21-13-16/h1-13H,14H2/b22-19-.
What are the key properties of N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride?
N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride has a molecular weight of 306.80 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride is sourced from PubChem (CID 10244675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).