N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride

C12H10Cl2N2 — CID 131712575

IUPACN-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride
SMILESCl.ClC(=Nc1ccccn1)c1ccccc1
InChIInChI=1S/C12H9ClN2.ClH/c13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-11;/h1-9H;1H
InChIKeyNKNVKSOFIWBRCB-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.82
Rot. Bonds2

About N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride

N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride (PubChem CID 131712575) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride.

Molecular Properties

Compound NameN-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride
PubChem CID131712575
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC NameN-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride
SMILESCl.ClC(=Nc1ccccn1)c1ccccc1
InChIInChI=1S/C12H9ClN2.ClH/c13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-11;/h1-9H;1H
InChIKeyNKNVKSOFIWBRCB-UHFFFAOYSA-N
XLogP3.82
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.82
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

1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine
CID 133053647
CID 173409418
CID 173409418
2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine
CID 160972528
(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
CID 6141172
(E)-3,3-diphenyl-N-pyridin-2-ylprop-2-en-1-imine
CID 177386351
methyl (1E)-N-pyridin-2-ylethanimidate
CID 14952135
dipyridin-2-yldiazene;osmium
CID 173074203
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide
CID 175066088
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol
CID 137141289
N-(2-cyanophenyl)benzenecarboximidoyl chloride
CID 13465821

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride?
The IUPAC name of N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride (CID 131712575) is N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride.
What is the SMILES notation for N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride?
The canonical SMILES for N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride is Cl.ClC(=Nc1ccccn1)c1ccccc1.
What is the InChIKey of N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride?
The InChIKey is NKNVKSOFIWBRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2.ClH/c13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-11;/h1-9H;1H.
What are the key properties of N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride?
N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride has a molecular weight of 253.13 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride is sourced from PubChem (CID 131712575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).