3-(9-chlorophenanthridin-6-yl)propanenitrile

C16H11ClN2 — CID 90817000

IUPAC3-(9-chlorophenanthridin-6-yl)propanenitrile
SMILESN#CCCc1nc2ccccc2c2cc(Cl)ccc12
InChIInChI=1S/C16H11ClN2/c17-11-7-8-13-14(10-11)12-4-1-2-5-15(12)19-16(13)6-3-9-18/h1-2,4-5,7-8,10H,3,6H2
InChIKeyUIKXYBFQDMWSLM-UHFFFAOYSA-N
MW266.73 g/mol
LogP4.50
Rot. Bonds2

About 3-(9-chlorophenanthridin-6-yl)propanenitrile

3-(9-chlorophenanthridin-6-yl)propanenitrile (PubChem CID 90817000) has the molecular formula C16H11ClN2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-(9-chlorophenanthridin-6-yl)propanenitrile.

Molecular Properties

Compound Name3-(9-chlorophenanthridin-6-yl)propanenitrile
PubChem CID90817000
Molecular FormulaC16H11ClN2
Molecular Weight266.73 g/mol
Exact Mass266.06
IUPAC Name3-(9-chlorophenanthridin-6-yl)propanenitrile
SMILESN#CCCc1nc2ccccc2c2cc(Cl)ccc12
InChIInChI=1S/C16H11ClN2/c17-11-7-8-13-14(10-11)12-4-1-2-5-15(12)19-16(13)6-3-9-18/h1-2,4-5,7-8,10H,3,6H2
InChIKeyUIKXYBFQDMWSLM-UHFFFAOYSA-N
XLogP4.50
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-5-phenanthridin-6-ylpentanenitrile
CID 162417954
3-anthracen-9-ylpropanenitrile
CID 14069397
3-(5-chloro-2-fluorophenyl)propanenitrile
CID 82468446
2-(2-chloroquinazolin-4-yl)ethanamine
CID 105461326
6-chloro-2-ethyl-3-methyl-4-phenylquinoline
CID 71419956
2-(2-chlorobenzo[c]phenanthren-5-yl)acetonitrile
CID 11483469
3-(4,6-dichloro-3-methylpyrazolo[3,4-b]quinolin-1-yl)propanenitrile
CID 124927102
3-(6-chloro-1H-indol-3-yl)propanenitrile
CID 82396450
3-(2-chloroquinazolin-4-yl)propan-1-amine
CID 87746138
3-chloro-6-methylphenanthridine
CID 22482295
3-(N-[5-chloro-2-(chloromethyl)phenyl]anilino)propanenitrile
CID 114846328
3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile
CID 79235950

Frequently Asked Questions

What is the IUPAC name of 3-(9-chlorophenanthridin-6-yl)propanenitrile?
The IUPAC name of 3-(9-chlorophenanthridin-6-yl)propanenitrile (CID 90817000) is 3-(9-chlorophenanthridin-6-yl)propanenitrile.
What is the SMILES notation for 3-(9-chlorophenanthridin-6-yl)propanenitrile?
The canonical SMILES for 3-(9-chlorophenanthridin-6-yl)propanenitrile is N#CCCc1nc2ccccc2c2cc(Cl)ccc12.
What is the InChIKey of 3-(9-chlorophenanthridin-6-yl)propanenitrile?
The InChIKey is UIKXYBFQDMWSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2/c17-11-7-8-13-14(10-11)12-4-1-2-5-15(12)19-16(13)6-3-9-18/h1-2,4-5,7-8,10H,3,6H2.
What are the key properties of 3-(9-chlorophenanthridin-6-yl)propanenitrile?
3-(9-chlorophenanthridin-6-yl)propanenitrile has a molecular weight of 266.73 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-chlorophenanthridin-6-yl)propanenitrile is sourced from PubChem (CID 90817000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).