1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride

C16H13ClN2O2 — CID 165343915

IUPAC1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride
SMILESCOc1ccc(Cn2ccc3cc(C(=O)Cl)cnc32)cc1
InChIInChI=1S/C16H13ClN2O2/c1-21-14-4-2-11(3-5-14)10-19-7-6-12-8-13(15(17)20)9-18-16(12)19/h2-9H,10H2,1H3
InChIKeyLNMTVNXICHSBRZ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.47
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride

1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride (PubChem CID 165343915) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride
PubChem CID165343915
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride
SMILESCOc1ccc(Cn2ccc3cc(C(=O)Cl)cnc32)cc1
InChIInChI=1S/C16H13ClN2O2/c1-21-14-4-2-11(3-5-14)10-19-7-6-12-8-13(15(17)20)9-18-16(12)19/h2-9H,10H2,1H3
InChIKeyLNMTVNXICHSBRZ-UHFFFAOYSA-N
XLogP3.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride (CID 165343915) is 1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride is COc1ccc(Cn2ccc3cc(C(=O)Cl)cnc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride?
The InChIKey is LNMTVNXICHSBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-21-14-4-2-11(3-5-14)10-19-7-6-12-8-13(15(17)20)9-18-16(12)19/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride?
1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride has a molecular weight of 300.75 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride is sourced from PubChem (CID 165343915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).