4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C14H10ClFN2O — CID 172571043

IUPAC4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(F)cc(-c2cc3c(Cl)ccnc3[nH]2)c1
InChIInChI=1S/C14H10ClFN2O/c1-19-10-5-8(4-9(16)6-10)13-7-11-12(15)2-3-17-14(11)18-13/h2-7H,1H3,(H,17,18)
InChIKeyZJXXQLRUEKNKHG-UHFFFAOYSA-N
MW276.70 g/mol
LogP4.03
Rot. Bonds2

About 4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 172571043) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID172571043
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(F)cc(-c2cc3c(Cl)ccnc3[nH]2)c1
InChIInChI=1S/C14H10ClFN2O/c1-19-10-5-8(4-9(16)6-10)13-7-11-12(15)2-3-17-14(11)18-13/h2-7H,1H3,(H,17,18)
InChIKeyZJXXQLRUEKNKHG-UHFFFAOYSA-N
XLogP4.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol
CID 172570950
4-chloro-2-(2-fluoro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 172571100
4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 164572804
4-chloro-2-(2-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 172571144
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137039035
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
CID 137283179
2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine
CID 175512944
4-chloro-2-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 172570987
2-(3-fluoro-5-methoxyphenyl)pyrazine
CID 166161834
1-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 138603109
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 138604339
N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 71728538

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 172571043) is 4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1cc(F)cc(-c2cc3c(Cl)ccnc3[nH]2)c1.
What is the InChIKey of 4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZJXXQLRUEKNKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c1-19-10-5-8(4-9(16)6-10)13-7-11-12(15)2-3-17-14(11)18-13/h2-7H,1H3,(H,17,18).
What are the key properties of 4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 276.70 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 172571043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).