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

C16H11ClN2O2 — CID 115512713

IUPAC(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone
SMILESO=C(c1c[nH]c2nccc(Cl)c12)C1COc2ccccc21
InChIInChI=1S/C16H11ClN2O2/c17-12-5-6-18-16-14(12)10(7-19-16)15(20)11-8-21-13-4-2-1-3-9(11)13/h1-7,11H,8H2,(H,18,19)
InChIKeyAFCWXNIOHDTPJU-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.58
Rot. Bonds2

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

(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone (PubChem CID 115512713) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone
PubChem CID115512713
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone
SMILESO=C(c1c[nH]c2nccc(Cl)c12)C1COc2ccccc21
InChIInChI=1S/C16H11ClN2O2/c17-12-5-6-18-16-14(12)10(7-19-16)15(20)11-8-21-13-4-2-1-3-9(11)13/h1-7,11H,8H2,(H,18,19)
InChIKeyAFCWXNIOHDTPJU-UHFFFAOYSA-N
XLogP3.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone
CID 115512742
2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetic acid
CID 115512759
(2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512791
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 115512659
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-diaminophenyl)methanone
CID 115512779
(3-bromo-2-methylphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512724
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone
CID 114272629
(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95782971
(3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213427
2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone
CID 102651090

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone?
The IUPAC name of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone (CID 115512713) is (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone?
The canonical SMILES for (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone is O=C(c1c[nH]c2nccc(Cl)c12)C1COc2ccccc21.
What is the InChIKey of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone?
The InChIKey is AFCWXNIOHDTPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-5-6-18-16-14(12)10(7-19-16)15(20)11-8-21-13-4-2-1-3-9(11)13/h1-7,11H,8H2,(H,18,19).
What are the key properties of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone?
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone has a molecular weight of 298.73 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 115512713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).