N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide

C13H11BrClN3O — CID 114050566

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)c1cccn1C1CC1
InChIInChI=1S/C13H11BrClN3O/c14-10-6-8(7-16-12(10)15)17-13(19)11-2-1-5-18(11)9-3-4-9/h1-2,5-7,9H,3-4H2,(H,17,19)
InChIKeyDPKXKPFLTSJLGO-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.89
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide

N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 114050566) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID114050566
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)c1cccn1C1CC1
InChIInChI=1S/C13H11BrClN3O/c14-10-6-8(7-16-12(10)15)17-13(19)11-2-1-5-18(11)9-3-4-9/h1-2,5-7,9H,3-4H2,(H,17,19)
InChIKeyDPKXKPFLTSJLGO-UHFFFAOYSA-N
XLogP3.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.89
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-(5-bromo-2-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
CID 114052140
5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114609051
1-cyclopropyl-N-(3-hydroxyphenyl)pyrrole-2-carboxamide
CID 43639337
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269
N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609165
N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 103816457
N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
CID 107301072
1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide
CID 107588651
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473
4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid
CID 43639305
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide (CID 114050566) is N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide is O=C(Nc1cnc(Cl)c(Br)c1)c1cccn1C1CC1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is DPKXKPFLTSJLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-10-6-8(7-16-12(10)15)17-13(19)11-2-1-5-18(11)9-3-4-9/h1-2,5-7,9H,3-4H2,(H,17,19).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide?
N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 340.61 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 114050566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).