(2-chloroanilino)azanium

C6H8ClN2+ — CID 3859073

IUPAC(2-chloroanilino)azanium
SMILES[NH3+]Nc1ccccc1Cl
InChIInChI=1S/C6H7ClN2/c7-5-3-1-2-4-6(5)9-8/h1-4,9H,8H2/p+1
InChIKeyGHGPIPTUDQZJJS-UHFFFAOYSA-O
MW143.60 g/mol
LogP0.91
Rot. Bonds1

About (2-chloroanilino)azanium

(2-chloroanilino)azanium (PubChem CID 3859073) has the molecular formula C6H8ClN2+ and a molecular weight of 143.60 g/mol. Its IUPAC name is (2-chloroanilino)azanium.

Molecular Properties

Compound Name(2-chloroanilino)azanium
PubChem CID3859073
Molecular FormulaC6H8ClN2+
Molecular Weight143.60 g/mol
Exact Mass143.04
IUPAC Name(2-chloroanilino)azanium
SMILES[NH3+]Nc1ccccc1Cl
InChIInChI=1S/C6H7ClN2/c7-5-3-1-2-4-6(5)9-8/h1-4,9H,8H2/p+1
InChIKeyGHGPIPTUDQZJJS-UHFFFAOYSA-O
XLogP0.91
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.60
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 87095931
CID 87095931
(2,6-dichloroanilino)azanium
CID 3613968
2-chloro-N-methylaniline;ethene
CID 142416453
N-(2-bromophenyl)-2-chloroaniline
CID 14022259
(3S,4R)-4-(2-chloroanilino)-1,1-dioxothiolan-3-ol
CID 2435929
azane;1,2-dichlorobenzene
CID 70584322
2,4,6-trichloro-N-(2-chlorophenyl)aniline
CID 101290833
N-(2-chlorophenyl)piperidin-1-amine
CID 66875878
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869
N-(2-chlorophenyl)pyrimidin-5-amine
CID 82536995
2,3,5-trichloro-N-(2-chlorophenyl)aniline
CID 101290830
O-methyl N-(2-chlorophenyl)carbamothioate
CID 2741365

Frequently Asked Questions

What is the IUPAC name of (2-chloroanilino)azanium?
The IUPAC name of (2-chloroanilino)azanium (CID 3859073) is (2-chloroanilino)azanium.
What is the SMILES notation for (2-chloroanilino)azanium?
The canonical SMILES for (2-chloroanilino)azanium is [NH3+]Nc1ccccc1Cl.
What is the InChIKey of (2-chloroanilino)azanium?
The InChIKey is GHGPIPTUDQZJJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7ClN2/c7-5-3-1-2-4-6(5)9-8/h1-4,9H,8H2/p+1.
What are the key properties of (2-chloroanilino)azanium?
(2-chloroanilino)azanium has a molecular weight of 143.60 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroanilino)azanium is sourced from PubChem (CID 3859073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).