1-methylpyrrole-2-carboxylic acid;hydrochloride

C6H8ClNO2 — CID 69426436

IUPAC1-methylpyrrole-2-carboxylic acid;hydrochloride
SMILESCl.Cn1cccc1C(=O)O
InChIInChI=1S/C6H7NO2.ClH/c1-7-4-2-3-5(7)6(8)9;/h2-4H,1H3,(H,8,9);1H
InChIKeyVIUXVTZICIOMFR-UHFFFAOYSA-N
MW161.59 g/mol
LogP1.15
Rot. Bonds1

About 1-methylpyrrole-2-carboxylic acid;hydrochloride

1-methylpyrrole-2-carboxylic acid;hydrochloride (PubChem CID 69426436) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is 1-methylpyrrole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-methylpyrrole-2-carboxylic acid;hydrochloride
PubChem CID69426436
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC Name1-methylpyrrole-2-carboxylic acid;hydrochloride
SMILESCl.Cn1cccc1C(=O)O
InChIInChI=1S/C6H7NO2.ClH/c1-7-4-2-3-5(7)6(8)9;/h2-4H,1H3,(H,8,9);1H
InChIKeyVIUXVTZICIOMFR-UHFFFAOYSA-N
XLogP1.15
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylpyrrole-2-carboxamide;hydrochloride
CID 21428931
1-methylpyrrole-2-carbonyl fluoride
CID 119090351
2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 43226564
phenyl 1-methylpyrrole-2-carboxylate
CID 15354293
(Z)-2-(1-methylpyrrol-2-yl)but-2-enedioic acid
CID 44718727
2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone
CID 171976356
2,2-dichloro-1-(1-methylpyrrol-2-yl)ethanone
CID 13217321
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
N,N-diethyl-1-methylpyrrole-2-carboxamide
CID 60654004
2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone
CID 82594983
[1-(1-methylpyrrol-2-yl)ethylideneamino] benzoate
CID 769612

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrole-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-methylpyrrole-2-carboxylic acid;hydrochloride (CID 69426436) is 1-methylpyrrole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-methylpyrrole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-methylpyrrole-2-carboxylic acid;hydrochloride is Cl.Cn1cccc1C(=O)O.
What is the InChIKey of 1-methylpyrrole-2-carboxylic acid;hydrochloride?
The InChIKey is VIUXVTZICIOMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.ClH/c1-7-4-2-3-5(7)6(8)9;/h2-4H,1H3,(H,8,9);1H.
What are the key properties of 1-methylpyrrole-2-carboxylic acid;hydrochloride?
1-methylpyrrole-2-carboxylic acid;hydrochloride has a molecular weight of 161.59 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 69426436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).