1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one

C16H13ClN2O — CID 174628400

IUPAC1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one
SMILESCC(=O)C(c1cccc(Cl)c1)c1ccnc2[nH]ccc12
InChIInChI=1S/C16H13ClN2O/c1-10(20)15(11-3-2-4-12(17)9-11)13-5-7-18-16-14(13)6-8-19-16/h2-9,15H,1H3,(H,18,19)
InChIKeyYKQPNTSGRWRAHL-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.94
Rot. Bonds3

About 1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one

1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one (PubChem CID 174628400) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one
PubChem CID174628400
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one
SMILESCC(=O)C(c1cccc(Cl)c1)c1ccnc2[nH]ccc12
InChIInChI=1S/C16H13ClN2O/c1-10(20)15(11-3-2-4-12(17)9-11)13-5-7-18-16-14(13)6-8-19-16/h2-9,15H,1H3,(H,18,19)
InChIKeyYKQPNTSGRWRAHL-UHFFFAOYSA-N
XLogP3.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 159696108
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
2-(3-chlorophenyl)-3-oxobutanoic acid
CID 118537968
1-amino-1-[(3-chlorophenyl)-quinolin-4-ylmethyl]urea
CID 67753933
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
3-chlorobenzoic acid;4-chloro-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine
CID 158732779
3-(3-chlorophenyl)-2,4-dioxopentanoic acid
CID 174674103
(2S)-2-(3-chlorophenyl)-3-oxobutanenitrile
CID 41137898
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9144287
4-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 74221294
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one?
The IUPAC name of 1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one (CID 174628400) is 1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one is CC(=O)C(c1cccc(Cl)c1)c1ccnc2[nH]ccc12.
What is the InChIKey of 1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one?
The InChIKey is YKQPNTSGRWRAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10(20)15(11-3-2-4-12(17)9-11)13-5-7-18-16-14(13)6-8-19-16/h2-9,15H,1H3,(H,18,19).
What are the key properties of 1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one?
1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one has a molecular weight of 284.75 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one is sourced from PubChem (CID 174628400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).