4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide

C9H6Cl2N4O — CID 102989332

IUPAC4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1nccnc1Cl)c1cc(Cl)c[nH]1
InChIInChI=1S/C9H6Cl2N4O/c10-5-3-6(14-4-5)9(16)15-8-7(11)12-1-2-13-8/h1-4,14H,(H,13,15,16)
InChIKeySUOCQZAKRNOTHQ-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.36
Rot. Bonds2

About 4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide

4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 102989332) has the molecular formula C9H6Cl2N4O and a molecular weight of 257.08 g/mol. Its IUPAC name is 4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID102989332
Molecular FormulaC9H6Cl2N4O
Molecular Weight257.08 g/mol
Exact Mass255.99
IUPAC Name4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1nccnc1Cl)c1cc(Cl)c[nH]1
InChIInChI=1S/C9H6Cl2N4O/c10-5-3-6(14-4-5)9(16)15-8-7(11)12-1-2-13-8/h1-4,14H,(H,13,15,16)
InChIKeySUOCQZAKRNOTHQ-UHFFFAOYSA-N
XLogP2.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102989436
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N-(3-chloropyrazin-2-yl)-1,2-oxazole-3-carboxamide
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4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
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4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide
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5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868632
4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 47036702
4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
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N-(3-chloropyrazin-2-yl)prop-2-enamide
CID 102989286
N-(3-chloropyrazin-2-yl)pyridazine-4-carboxamide
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4-chloro-1H-pyrrole-2-carboxylic acid
CID 7130842
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CID 79049259

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide (CID 102989332) is 4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide is O=C(Nc1nccnc1Cl)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is SUOCQZAKRNOTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O/c10-5-3-6(14-4-5)9(16)15-8-7(11)12-1-2-13-8/h1-4,14H,(H,13,15,16).
What are the key properties of 4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 257.08 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 102989332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).