6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide

C24H24ClI6N6- — CID 160565414

IUPAC6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide
SMILESI.II.I[I-]I.N#Cc1ccc(C2CC2)nc1.N#Cc1ccc(Cl)nc1.NCc1ccc(C2CC2)nc1
InChIInChI=1S/C9H12N2.C9H8N2.C6H3ClN2.I3.I2.HI/c2*10-5-7-1-4-9(11-6-7)8-2-3-8;7-6-2-1-5(3-8)4-9-6;1-3-2;1-2;/h1,4,6,8H,2-3,5,10H2;1,4,6,8H,2-3H2;1-2,4H;;;1H/q;;;-1;;
InChIKeyXRYCDBYVJROQTR-UHFFFAOYSA-N
MW1193.37 g/mol
LogP6.02
Rot. Bonds3

About 6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide

6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide (PubChem CID 160565414) has the molecular formula C24H24ClI6N6- and a molecular weight of 1193.37 g/mol. Its IUPAC name is 6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide.

Molecular Properties

Compound Name6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide
PubChem CID160565414
Molecular FormulaC24H24ClI6N6-
Molecular Weight1193.37 g/mol
Exact Mass1192.60
IUPAC Name6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide
SMILESI.II.I[I-]I.N#Cc1ccc(C2CC2)nc1.N#Cc1ccc(Cl)nc1.NCc1ccc(C2CC2)nc1
InChIInChI=1S/C9H12N2.C9H8N2.C6H3ClN2.I3.I2.HI/c2*10-5-7-1-4-9(11-6-7)8-2-3-8;7-6-2-1-5(3-8)4-9-6;1-3-2;1-2;/h1,4,6,8H,2-3,5,10H2;1,4,6,8H,2-3H2;1-2,4H;;;1H/q;;;-1;;
InChIKeyXRYCDBYVJROQTR-UHFFFAOYSA-N
XLogP6.02
TPSA112.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.37
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide?
The IUPAC name of 6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide (CID 160565414) is 6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide.
What is the SMILES notation for 6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide?
The canonical SMILES for 6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide is I.II.I[I-]I.N#Cc1ccc(C2CC2)nc1.N#Cc1ccc(Cl)nc1.NCc1ccc(C2CC2)nc1.
What is the InChIKey of 6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide?
The InChIKey is XRYCDBYVJROQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C9H8N2.C6H3ClN2.I3.I2.HI/c2*10-5-7-1-4-9(11-6-7)8-2-3-8;7-6-2-1-5(3-8)4-9-6;1-3-2;1-2;/h1,4,6,8H,2-3,5,10H2;1,4,6,8H,2-3H2;1-2,4H;;;1H/q;;;-1;;.
What are the key properties of 6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide?
6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide has a molecular weight of 1193.37 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridine-3-carbonitrile;6-cyclopropylpyridine-3-carbonitrile;(6-cyclopropyl-3-pyridinyl)methanamine;molecular iodine;triiodide;hydroiodide is sourced from PubChem (CID 160565414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).