lithium (3-chloro-4-methylphenyl)azanide

C7H7ClLiN — CID 101026876

IUPAClithium (3-chloro-4-methylphenyl)azanide
SMILESCc1ccc([NH-])cc1Cl.[Li+]
InChIInChI=1S/C7H7ClN.Li/c1-5-2-3-6(9)4-7(5)8;/h2-4,9H,1H3;/q-1;+1
InChIKeyBAIHXLIABOHDGI-UHFFFAOYSA-N
MW147.53 g/mol
LogP0.34
Rot. Bonds

About lithium (3-chloro-4-methylphenyl)azanide

lithium (3-chloro-4-methylphenyl)azanide (PubChem CID 101026876) has the molecular formula C7H7ClLiN and a molecular weight of 147.53 g/mol. Its IUPAC name is lithium (3-chloro-4-methylphenyl)azanide.

Molecular Properties

Compound Namelithium (3-chloro-4-methylphenyl)azanide
PubChem CID101026876
Molecular FormulaC7H7ClLiN
Molecular Weight147.53 g/mol
Exact Mass147.04
IUPAC Namelithium (3-chloro-4-methylphenyl)azanide
SMILESCc1ccc([NH-])cc1Cl.[Li+]
InChIInChI=1S/C7H7ClN.Li/c1-5-2-3-6(9)4-7(5)8;/h2-4,9H,1H3;/q-1;+1
InChIKeyBAIHXLIABOHDGI-UHFFFAOYSA-N
XLogP0.34
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.53
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-chloro-4-methylphenol
CID 14853
tetrakis(3-chloro-4-methylphenyl)boranuide
CID 140736075
(3-chloro-4-methylphenyl)-dimethylsilanylium
CID 100925485
2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
CID 144609409
(3-chloro-4-methylphenyl)-dimethylborane
CID 58436961
3-chloro-N,N,4-trimethylaniline
CID 12637287
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
calcium;3-chloro-4-methylbenzenesulfonic acid;hydride
CID 173480184
2-chloro-4-ethylsulfonyl-1-methylbenzene
CID 21187106
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene
CID 139625306
2-chloro-4-(ethylsulfonylmethyl)-1-methylbenzene
CID 167629819

Frequently Asked Questions

What is the IUPAC name of lithium (3-chloro-4-methylphenyl)azanide?
The IUPAC name of lithium (3-chloro-4-methylphenyl)azanide (CID 101026876) is lithium (3-chloro-4-methylphenyl)azanide.
What is the SMILES notation for lithium (3-chloro-4-methylphenyl)azanide?
The canonical SMILES for lithium (3-chloro-4-methylphenyl)azanide is Cc1ccc([NH-])cc1Cl.[Li+].
What is the InChIKey of lithium (3-chloro-4-methylphenyl)azanide?
The InChIKey is BAIHXLIABOHDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN.Li/c1-5-2-3-6(9)4-7(5)8;/h2-4,9H,1H3;/q-1;+1.
What are the key properties of lithium (3-chloro-4-methylphenyl)azanide?
lithium (3-chloro-4-methylphenyl)azanide has a molecular weight of 147.53 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3-chloro-4-methylphenyl)azanide is sourced from PubChem (CID 101026876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).