7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine

C14H7ClF2N4O — CID 160552968

IUPAC7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine
SMILES[C-]#[N+]c1cc(F)c(Oc2cc(Cl)c3ncn(C)c3n2)c(F)c1
InChIInChI=1S/C14H7ClF2N4O/c1-18-7-3-9(16)13(10(17)4-7)22-11-5-8(15)12-14(20-11)21(2)6-19-12/h3-6H,2H3
InChIKeyQYHUFMQYXCHDJS-UHFFFAOYSA-N
MW320.69 g/mol
LogP4.24
Rot. Bonds2

About 7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine

7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine (PubChem CID 160552968) has the molecular formula C14H7ClF2N4O and a molecular weight of 320.69 g/mol. Its IUPAC name is 7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine
PubChem CID160552968
Molecular FormulaC14H7ClF2N4O
Molecular Weight320.69 g/mol
Exact Mass320.03
IUPAC Name7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine
SMILES[C-]#[N+]c1cc(F)c(Oc2cc(Cl)c3ncn(C)c3n2)c(F)c1
InChIInChI=1S/C14H7ClF2N4O/c1-18-7-3-9(16)13(10(17)4-7)22-11-5-8(15)12-14(20-11)21(2)6-19-12/h3-6H,2H3
InChIKeyQYHUFMQYXCHDJS-UHFFFAOYSA-N
XLogP4.24
TPSA44.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.69
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,7-dichloro-3-methylimidazo[4,5-b]pyridine
CID 59696154
7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol
CID 159621022
7-chloro-3,5-dimethylimidazo[4,5-b]pyridine
CID 83680448
cis-(1R,2R)-N-[6-(2-chloro-6-fluoro-4-isocyano-N-methylanilino)-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 123171462
1-(4-fluorophenyl)-9-methyl-2-(2,4,6-trifluorophenoxy)purin-6-one
CID 24957893
7-fluoro-9-isocyano-2-methyl-5-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 58476020
2-(2-chloro-4-fluorophenoxy)-1-(4-fluorophenyl)-9-methylpurin-6-one
CID 24958639
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone
CID 159146173
2-chloro-1,9-dimethylpurin-6-one
CID 127263212
ethane;2-fluoro-9-methylpurin-6-amine
CID 169190539
2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine
CID 59293637
2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
CID 155612920

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine (CID 160552968) is 7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine is [C-]#[N+]c1cc(F)c(Oc2cc(Cl)c3ncn(C)c3n2)c(F)c1.
What is the InChIKey of 7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine?
The InChIKey is QYHUFMQYXCHDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N4O/c1-18-7-3-9(16)13(10(17)4-7)22-11-5-8(15)12-14(20-11)21(2)6-19-12/h3-6H,2H3.
What are the key properties of 7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine?
7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine has a molecular weight of 320.69 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2,6-difluoro-4-isocyanophenoxy)-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 160552968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).