N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide

C12H11BrClN3O — CID 114051836

IUPACN-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C12H11BrClN3O/c1-2-17-7-8(14)6-10(17)12(18)16-9-4-3-5-15-11(9)13/h3-7H,2H2,1H3,(H,16,18)
InChIKeyICCIYQZPYVRCHD-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.57
Rot. Bonds3

About N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide

N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide (PubChem CID 114051836) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide
PubChem CID114051836
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC NameN-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C12H11BrClN3O/c1-2-17-7-8(14)6-10(17)12(18)16-9-4-3-5-15-11(9)13/h3-7H,2H2,1H3,(H,16,18)
InChIKeyICCIYQZPYVRCHD-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide
CID 167849671
N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639503
N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 107583826
4-chloro-1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide
CID 80548058
4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 64794682
4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide
CID 146106273
2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338885
N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103819199
4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641006
N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 81288414

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide (CID 114051836) is N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The InChIKey is ICCIYQZPYVRCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-2-17-7-8(14)6-10(17)12(18)16-9-4-3-5-15-11(9)13/h3-7H,2H2,1H3,(H,16,18).
What are the key properties of N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide has a molecular weight of 328.60 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 114051836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).