7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C10H9BrClN3O — CID 152714288

IUPAC7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(Cl)ncc(Br)c2[nH]1
InChIInChI=1S/C10H9BrClN3O/c1-2-13-10(16)7-3-5-8(15-7)6(11)4-14-9(5)12/h3-4,15H,2H2,1H3,(H,13,16)
InChIKeyZUGOXEVQIJRIEQ-UHFFFAOYSA-N
MW302.56 g/mol
LogP2.73
Rot. Bonds2

About 7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 152714288) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is 7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID152714288
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(Cl)ncc(Br)c2[nH]1
InChIInChI=1S/C10H9BrClN3O/c1-2-13-10(16)7-3-5-8(15-7)6(11)4-14-9(5)12/h3-4,15H,2H2,1H3,(H,13,16)
InChIKeyZUGOXEVQIJRIEQ-UHFFFAOYSA-N
XLogP2.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 167229816
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7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide
CID 167229548
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
2-chloro-N-ethyl-1,3-thiazole-5-carboxamide
CID 170344916
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CID 130572192
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 167471705
3,5-dibromo-4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 107738631
2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide
CID 102168751
5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55769960

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 152714288) is 7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(Cl)ncc(Br)c2[nH]1.
What is the InChIKey of 7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is ZUGOXEVQIJRIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-2-13-10(16)7-3-5-8(15-7)6(11)4-14-9(5)12/h3-4,15H,2H2,1H3,(H,13,16).
What are the key properties of 7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 302.56 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-N-ethyl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 152714288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).