5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine

C16H16ClN3O — CID 163252771

IUPAC5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine
SMILESCCc1ccnc(OC)c1-c1cc2cc(Cl)ncc2n1C
InChIInChI=1S/C16H16ClN3O/c1-4-10-5-6-18-16(21-3)15(10)12-7-11-8-14(17)19-9-13(11)20(12)2/h5-9H,4H2,1-3H3
InChIKeyUPMIPTLNPNUXOT-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.86
Rot. Bonds3

About 5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine

5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine (PubChem CID 163252771) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine
PubChem CID163252771
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine
SMILESCCc1ccnc(OC)c1-c1cc2cc(Cl)ncc2n1C
InChIInChI=1S/C16H16ClN3O/c1-4-10-5-6-18-16(21-3)15(10)12-7-11-8-14(17)19-9-13(11)20(12)2/h5-9H,4H2,1-3H3
InChIKeyUPMIPTLNPNUXOT-UHFFFAOYSA-N
XLogP3.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[4-[[4-(3-Chlorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine
CID 152346156
N-butylharmine
CID 486624
(1-Chloro-7-Methoxy-9h-Beta-Carbolin-9-Yl)acetonitrile
CID 91664024
N-Ethylharmine
CID 486623
2-(7-Methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-yl)acetonitrile
CID 9881447
1-chloro-7-methoxy-9H-pyrido[3,4-b]indole
CID 10198544
1-Benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11538092
7-[(4-Chlorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine
CID 11695845
3-(7-Methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine
CID 54575585
4-(7-Methoxy-1-methylpyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575586
4-(7-Methoxypyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575645
4-(1-Ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575646

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine (CID 163252771) is 5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine is CCc1ccnc(OC)c1-c1cc2cc(Cl)ncc2n1C.
What is the InChIKey of 5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine?
The InChIKey is UPMIPTLNPNUXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-4-10-5-6-18-16(21-3)15(10)12-7-11-8-14(17)19-9-13(11)20(12)2/h5-9H,4H2,1-3H3.
What are the key properties of 5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine?
5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine has a molecular weight of 301.78 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 163252771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).