4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide

C17H10Br3Cl2N5O2 — CID 66854373

IUPAC4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide
SMILESNNC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(Br)c(Cl)n1-c1ncccc1Cl
InChIInChI=1S/C17H10Br3Cl2N5O2/c18-7-4-8(16(28)26-23)13(9(19)5-7)25-17(29)12-6-10(20)14(22)27(12)15-11(21)2-1-3-24-15/h1-6H,23H2,(H,25,29)(H,26,28)
InChIKeyGYMQMDUCSRAVCQ-UHFFFAOYSA-N
MW626.92 g/mol
LogP5.32
Rot. Bonds4

About 4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide

4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide (PubChem CID 66854373) has the molecular formula C17H10Br3Cl2N5O2 and a molecular weight of 626.92 g/mol. Its IUPAC name is 4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide
PubChem CID66854373
Molecular FormulaC17H10Br3Cl2N5O2
Molecular Weight626.92 g/mol
Exact Mass622.78
IUPAC Name4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide
SMILESNNC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(Br)c(Cl)n1-c1ncccc1Cl
InChIInChI=1S/C17H10Br3Cl2N5O2/c18-7-4-8(16(28)26-23)13(9(19)5-7)25-17(29)12-6-10(20)14(22)27(12)15-11(21)2-1-3-24-15/h1-6H,23H2,(H,25,29)(H,26,28)
InChIKeyGYMQMDUCSRAVCQ-UHFFFAOYSA-N
XLogP5.32
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.92
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(methoxycarbamoyl)phenyl]pyrazole-5-carboxamide
CID 141466648
methyl N-[[3,5-dibromo-2-[[1-(3-chloro-2-pyridinyl)-5-methylsulfanylpyrrole-2-carbonyl]amino]benzoyl]amino]carbamate
CID 59286872
methyl N-[[3,5-dibromo-2-[[1-(3-chloro-2-pyridinyl)-5-methylsulfonylpyrrole-2-carbonyl]amino]benzoyl]amino]carbamate
CID 59286907
methyl N-[[3,5-dibromo-2-[[4-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]carbamate
CID 59286947
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[dimethylamino(ethyl)carbamoyl]phenyl]pyrazole-5-carboxamide
CID 134562069
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[[carbamoyl(methyl)amino]carbamoyl]phenyl]pyrazole-5-carboxamide
CID 158584707
1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 145498245
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(prop-2-ynoxyamino)carbamoyl]phenyl]pyrazole-5-carboxamide
CID 145498305
1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(ethylsulfanylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 72547850
[[3,5-dibromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]benzoyl]-ethylamino]-ethylcarbamic acid
CID 89488386
4-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-5-ethylpyrrole-2-carboxamide
CID 170206423
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide (CID 66854373) is 4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide is NNC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(Br)c(Cl)n1-c1ncccc1Cl.
What is the InChIKey of 4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is GYMQMDUCSRAVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br3Cl2N5O2/c18-7-4-8(16(28)26-23)13(9(19)5-7)25-17(29)12-6-10(20)14(22)27(12)15-11(21)2-1-3-24-15/h1-6H,23H2,(H,25,29)(H,26,28).
What are the key properties of 4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide?
4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 626.92 g/mol, XLogP of 5.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 66854373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).