(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone

C11H9ClN2O — CID 115512742

IUPAC(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone
SMILESO=C(c1c[nH]c2nccc(Cl)c12)C1CC1
InChIInChI=1S/C11H9ClN2O/c12-8-3-4-13-11-9(8)7(5-14-11)10(15)6-1-2-6/h3-6H,1-2H2,(H,13,14)
InChIKeyWBZHJQTUPZJDDH-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.81
Rot. Bonds2

About (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone

(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone (PubChem CID 115512742) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone
PubChem CID115512742
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone
SMILESO=C(c1c[nH]c2nccc(Cl)c12)C1CC1
InChIInChI=1S/C11H9ClN2O/c12-8-3-4-13-11-9(8)7(5-14-11)10(15)6-1-2-6/h3-6H,1-2H2,(H,13,14)
InChIKeyWBZHJQTUPZJDDH-UHFFFAOYSA-N
XLogP2.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone
CID 113326150
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 115512659
2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetic acid
CID 115512759
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 115512713
2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 115512658
(5-chloro-2-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512689
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-diaminophenyl)methanone
CID 115512779
(2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512791
(4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboximidoyl)oxymethanethioic S-acid
CID 165156645
(4-chloro-3-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107998394
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-thiophen-2-ylmethanone
CID 115512654
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-ethylphenyl)methanone
CID 115512719

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone?
The IUPAC name of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone (CID 115512742) is (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone.
What is the SMILES notation for (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone?
The canonical SMILES for (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone is O=C(c1c[nH]c2nccc(Cl)c12)C1CC1.
What is the InChIKey of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone?
The InChIKey is WBZHJQTUPZJDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-8-3-4-13-11-9(8)7(5-14-11)10(15)6-1-2-6/h3-6H,1-2H2,(H,13,14).
What are the key properties of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone?
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone has a molecular weight of 220.66 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone is sourced from PubChem (CID 115512742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).