(6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride

C10H10Cl2N2 — CID 168792063

IUPAC(6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride
SMILESN#Cc1cc(Cl)cc2c1CC([NH3+])C2.[Cl-]
InChIInChI=1S/C10H9ClN2.ClH/c11-8-1-6-3-9(13)4-10(6)7(2-8)5-12;/h1-2,9H,3-4,13H2;1H
InChIKeyKUPRHGVVBDVZCB-UHFFFAOYSA-N
MW229.11 g/mol
LogP-2.08
Rot. Bonds

About (6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride

(6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride (PubChem CID 168792063) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is (6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride.

Molecular Properties

Compound Name(6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride
PubChem CID168792063
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name(6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride
SMILESN#Cc1cc(Cl)cc2c1CC([NH3+])C2.[Cl-]
InChIInChI=1S/C10H9ClN2.ClH/c11-8-1-6-3-9(13)4-10(6)7(2-8)5-12;/h1-2,9H,3-4,13H2;1H
InChIKeyKUPRHGVVBDVZCB-UHFFFAOYSA-N
XLogP-2.08
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 5-2.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile
CID 55295556
6-chloro-2-[(5-oxo-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 175388868
2,3,5-trichlorobenzonitrile
CID 19800061
N-(6-chloro-4-prop-1-ynyl-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine
CID 175394284
(2S)-6-chloro-2-[[5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)pyrimidin-2-yl]amino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 167436441
6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 175377953
(2S)-6-chloro-2-[(6-ethyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 162384926
6-chloro-2-[[6-(oxetan-3-yl)-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-2-yl]amino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 175377961
4-chloro-2-cyanobenzenesulfonyl fluoride
CID 122236117
2,4-dichloro-6-cyanobenzenesulfonamide
CID 171007997
5-chloro-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 55078571
2-bromo-5-chloro-3-fluorobenzonitrile
CID 131622399

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride?
The IUPAC name of (6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride (CID 168792063) is (6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride.
What is the SMILES notation for (6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride?
The canonical SMILES for (6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride is N#Cc1cc(Cl)cc2c1CC([NH3+])C2.[Cl-].
What is the InChIKey of (6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride?
The InChIKey is KUPRHGVVBDVZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2.ClH/c11-8-1-6-3-9(13)4-10(6)7(2-8)5-12;/h1-2,9H,3-4,13H2;1H.
What are the key properties of (6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride?
(6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride has a molecular weight of 229.11 g/mol, XLogP of -2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-cyano-2,3-dihydro-1H-inden-2-yl)azanium chloride is sourced from PubChem (CID 168792063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).