4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide

C10H8BrN3O — CID 18109255

IUPAC4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(Br)c[nH]1
InChIInChI=1S/C10H8BrN3O/c11-7-5-9(13-6-7)10(15)14-8-1-3-12-4-2-8/h1-6,13H,(H,12,14,15)
InChIKeyXYTXEKOKZCAEQW-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.42
Rot. Bonds2

About 4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide

4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide (PubChem CID 18109255) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
PubChem CID18109255
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(Br)c[nH]1
InChIInChI=1S/C10H8BrN3O/c11-7-5-9(13-6-7)10(15)14-8-1-3-12-4-2-8/h1-6,13H,(H,12,14,15)
InChIKeyXYTXEKOKZCAEQW-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide
CID 63252902
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CID 107613080
4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 55220101
2-[4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 28741876
4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
CID 47388348
4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 60667388
4-bromo-N-(4-bromo-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 79421457
4-bromo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 51300206
4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 107271771
4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601282
5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 62072760
2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 35828938

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide (CID 18109255) is 4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide is O=C(Nc1ccncc1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
The InChIKey is XYTXEKOKZCAEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-7-5-9(13-6-7)10(15)14-8-1-3-12-4-2-8/h1-6,13H,(H,12,14,15).
What are the key properties of 4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide has a molecular weight of 266.10 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18109255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).