lithium;2-chloroaniline;hydride

C6H7ClLiN — CID 175102448

IUPAClithium;2-chloroaniline;hydride
SMILESNc1ccccc1Cl.[H-].[Li+]
InChIInChI=1S/C6H6ClN.Li.H/c7-5-3-1-2-4-6(5)8;;/h1-4H,8H2;;/q;+1;-1
InChIKeySAISNBFBTPWBKE-UHFFFAOYSA-N
MW135.52 g/mol
LogP-0.96
Rot. Bonds

About lithium;2-chloroaniline;hydride

lithium;2-chloroaniline;hydride (PubChem CID 175102448) has the molecular formula C6H7ClLiN and a molecular weight of 135.52 g/mol. Its IUPAC name is lithium;2-chloroaniline;hydride.

Molecular Properties

Compound Namelithium;2-chloroaniline;hydride
PubChem CID175102448
Molecular FormulaC6H7ClLiN
Molecular Weight135.52 g/mol
Exact Mass135.04
IUPAC Namelithium;2-chloroaniline;hydride
SMILESNc1ccccc1Cl.[H-].[Li+]
InChIInChI=1S/C6H6ClN.Li.H/c7-5-3-1-2-4-6(5)8;;/h1-4H,8H2;;/q;+1;-1
InChIKeySAISNBFBTPWBKE-UHFFFAOYSA-N
XLogP-0.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.52
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloroaniline;pyridine
CID 158508942
N-chloroaniline;2-chloroaniline
CID 158101021
CID 175440029
CID 175440029
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CID 67042082
azane;1,2-dichlorobenzene
CID 70584322
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
benzene-1,2-diamine;zinc
CID 70562194
2-chloroaniline;quinolin-8-ol
CID 70504979
2-chloroaniline;N,5-dimethylpyridin-2-amine
CID 142808414
3-chloro-2-(fluoromethyl)aniline
CID 70612781
2-(2-chlorophenyl)-3-methylaniline
CID 67904683
3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
CID 29067270

Frequently Asked Questions

What is the IUPAC name of lithium;2-chloroaniline;hydride?
The IUPAC name of lithium;2-chloroaniline;hydride (CID 175102448) is lithium;2-chloroaniline;hydride.
What is the SMILES notation for lithium;2-chloroaniline;hydride?
The canonical SMILES for lithium;2-chloroaniline;hydride is Nc1ccccc1Cl.[H-].[Li+].
What is the InChIKey of lithium;2-chloroaniline;hydride?
The InChIKey is SAISNBFBTPWBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.Li.H/c7-5-3-1-2-4-6(5)8;;/h1-4H,8H2;;/q;+1;-1.
What are the key properties of lithium;2-chloroaniline;hydride?
lithium;2-chloroaniline;hydride has a molecular weight of 135.52 g/mol, XLogP of -0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-chloroaniline;hydride is sourced from PubChem (CID 175102448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).