4,6-dichloro-3-isocyano-2-phenylpyridine

C12H6Cl2N2 — CID 123187056

IUPAC4,6-dichloro-3-isocyano-2-phenylpyridine
SMILES[C-]#[N+]c1c(Cl)cc(Cl)nc1-c1ccccc1
InChIInChI=1S/C12H6Cl2N2/c1-15-12-9(13)7-10(14)16-11(12)8-5-3-2-4-6-8/h2-7H
InChIKeyRCFTXIOHRYWHLE-UHFFFAOYSA-N
MW249.10 g/mol
LogP4.61
Rot. Bonds1

About 4,6-dichloro-3-isocyano-2-phenylpyridine

4,6-dichloro-3-isocyano-2-phenylpyridine (PubChem CID 123187056) has the molecular formula C12H6Cl2N2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 4,6-dichloro-3-isocyano-2-phenylpyridine.

Molecular Properties

Compound Name4,6-dichloro-3-isocyano-2-phenylpyridine
PubChem CID123187056
Molecular FormulaC12H6Cl2N2
Molecular Weight249.10 g/mol
Exact Mass247.99
IUPAC Name4,6-dichloro-3-isocyano-2-phenylpyridine
SMILES[C-]#[N+]c1c(Cl)cc(Cl)nc1-c1ccccc1
InChIInChI=1S/C12H6Cl2N2/c1-15-12-9(13)7-10(14)16-11(12)8-5-3-2-4-6-8/h2-7H
InChIKeyRCFTXIOHRYWHLE-UHFFFAOYSA-N
XLogP4.61
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2,4,6-trichloro-3-phenylpyridine
CID 91101159
4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile
CID 154586869
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
2,3-diisocyano-5-methyl-6-phenylpyrazine
CID 59915583
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine
CID 121400157
2-chloro-6-fluoro-4-phenylpyridine
CID 118994306
3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
CID 21026465
2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine
CID 88869157
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
CID 115914999
5-isocyano-2-phenacyl-4-phenyl-1H-pyrimidin-6-one
CID 140704417
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-isocyano-2-phenylpyridine?
The IUPAC name of 4,6-dichloro-3-isocyano-2-phenylpyridine (CID 123187056) is 4,6-dichloro-3-isocyano-2-phenylpyridine.
What is the SMILES notation for 4,6-dichloro-3-isocyano-2-phenylpyridine?
The canonical SMILES for 4,6-dichloro-3-isocyano-2-phenylpyridine is [C-]#[N+]c1c(Cl)cc(Cl)nc1-c1ccccc1.
What is the InChIKey of 4,6-dichloro-3-isocyano-2-phenylpyridine?
The InChIKey is RCFTXIOHRYWHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2/c1-15-12-9(13)7-10(14)16-11(12)8-5-3-2-4-6-8/h2-7H.
What are the key properties of 4,6-dichloro-3-isocyano-2-phenylpyridine?
4,6-dichloro-3-isocyano-2-phenylpyridine has a molecular weight of 249.10 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-isocyano-2-phenylpyridine is sourced from PubChem (CID 123187056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).