2-chloroaniline;pyridine

C11H11ClN2 — CID 158508942

IUPAC2-chloroaniline;pyridine
SMILESNc1ccccc1Cl.c1ccncc1
InChIInChI=1S/C6H6ClN.C5H5N/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1/h1-4H,8H2;1-5H
InChIKeyHKUSGBMYJFSDNN-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.00
Rot. Bonds

About 2-chloroaniline;pyridine

2-chloroaniline;pyridine (PubChem CID 158508942) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 2-chloroaniline;pyridine.

Molecular Properties

Compound Name2-chloroaniline;pyridine
PubChem CID158508942
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name2-chloroaniline;pyridine
SMILESNc1ccccc1Cl.c1ccncc1
InChIInChI=1S/C6H6ClN.C5H5N/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1/h1-4H,8H2;1-5H
InChIKeyHKUSGBMYJFSDNN-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;2-chloroaniline;hydride
CID 175102448
N-chloroaniline;2-chloroaniline
CID 158101021
2-aminobenzenesulfonamide;pyridine
CID 159520045
2-chloroaniline;quinolin-8-ol
CID 70504979
azane;1,2-dichlorobenzene
CID 70584322
pyridine
CID 67755510
pyridine
CID 160878650
1,5-diazecine
CID 53440348
2,5-dichloro-1H-pyrrole;pyridine
CID 174819836
2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 43363998
3-chloro-2-(pyridin-2-ylmethylsulfanyl)aniline
CID 43304905
chlorobenzene;1,2-dichlorobenzene
CID 22250607

Frequently Asked Questions

What is the IUPAC name of 2-chloroaniline;pyridine?
The IUPAC name of 2-chloroaniline;pyridine (CID 158508942) is 2-chloroaniline;pyridine.
What is the SMILES notation for 2-chloroaniline;pyridine?
The canonical SMILES for 2-chloroaniline;pyridine is Nc1ccccc1Cl.c1ccncc1.
What is the InChIKey of 2-chloroaniline;pyridine?
The InChIKey is HKUSGBMYJFSDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.C5H5N/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1/h1-4H,8H2;1-5H.
What are the key properties of 2-chloroaniline;pyridine?
2-chloroaniline;pyridine has a molecular weight of 206.68 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroaniline;pyridine is sourced from PubChem (CID 158508942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).