6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile

C19H14Cl2N8O — CID 159402120

IUPAC6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESN#Cc1nc(Cl)cc2[nH]c(C3CCCCO3)nc12.N#Cc1nc(Cl)cc2[nH]cnc12
InChIInChI=1S/C12H11ClN4O.C7H3ClN4/c13-10-5-7-11(8(6-14)15-10)17-12(16-7)9-3-1-2-4-18-9;8-6-1-4-7(11-3-10-4)5(2-9)12-6/h5,9H,1-4H2,(H,16,17);1,3H,(H,10,11)
InChIKeyLNLXVQAFXLKDCM-UHFFFAOYSA-N
MW441.28 g/mol
LogP4.21
Rot. Bonds1

About 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile

6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 159402120) has the molecular formula C19H14Cl2N8O and a molecular weight of 441.28 g/mol. Its IUPAC name is 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID159402120
Molecular FormulaC19H14Cl2N8O
Molecular Weight441.28 g/mol
Exact Mass440.07
IUPAC Name6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESN#Cc1nc(Cl)cc2[nH]c(C3CCCCO3)nc12.N#Cc1nc(Cl)cc2[nH]cnc12
InChIInChI=1S/C12H11ClN4O.C7H3ClN4/c13-10-5-7-11(8(6-14)15-10)17-12(16-7)9-3-1-2-4-18-9;8-6-1-4-7(11-3-10-4)5(2-9)12-6/h5,9H,1-4H2,(H,16,17);1,3H,(H,10,11)
InChIKeyLNLXVQAFXLKDCM-UHFFFAOYSA-N
XLogP4.21
TPSA139.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.28
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(oxan-2-yl)-1H-benzimidazole-5-carbonitrile
CID 123952783
[6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 123795026
6-bromo-4-methyl-2-(oxan-2-yl)-1H-benzimidazole
CID 104574556
6-fluoro-2-(oxan-2-yl)-1H-benzimidazole-5-carbonitrile
CID 123389336
2-(oxan-2-yl)-1H-benzimidazol-4-amine
CID 63694577
1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine
CID 123516619
2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile
CID 79004157
5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole
CID 62214074
2-(oxolan-2-yl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168748
4-chloro-6-(oxan-2-yl)pyrimidine
CID 172993090
5-(oxan-2-yl)-1H-1,2,4-triazole
CID 91376030
7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 63722483

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile (CID 159402120) is 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile is N#Cc1nc(Cl)cc2[nH]c(C3CCCCO3)nc12.N#Cc1nc(Cl)cc2[nH]cnc12.
What is the InChIKey of 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is LNLXVQAFXLKDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O.C7H3ClN4/c13-10-5-7-11(8(6-14)15-10)17-12(16-7)9-3-1-2-4-18-9;8-6-1-4-7(11-3-10-4)5(2-9)12-6/h5,9H,1-4H2,(H,16,17);1,3H,(H,10,11).
What are the key properties of 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 441.28 g/mol, XLogP of 4.21, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 159402120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).