2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid

C11H10N2O2 — CID 114324425

IUPAC2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Cn2cccc2)c1
InChIInChI=1S/C11H10N2O2/c14-11(15)9-3-4-12-10(7-9)8-13-5-1-2-6-13/h1-7H,8H2,(H,14,15)
InChIKeyBAZPLYLCONXNLV-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.63
Rot. Bonds3

About 2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid

2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid (PubChem CID 114324425) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid
PubChem CID114324425
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Cn2cccc2)c1
InChIInChI=1S/C11H10N2O2/c14-11(15)9-3-4-12-10(7-9)8-13-5-1-2-6-13/h1-7H,8H2,(H,14,15)
InChIKeyBAZPLYLCONXNLV-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
CID 114324415
2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324861
2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid
CID 114325415
2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324863
2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
CID 114324862
2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid
CID 114325420
2-[(1,1-dioxothiazinan-2-yl)methyl]pyridine-4-carboxylic acid
CID 116814508
2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid
CID 113277697
2-(2,2,2-trimethoxyethyl)pyridine-4-carboxylic acid
CID 68836420
2-[(4-benzhydryl-1,4-diazepan-1-yl)methyl]pyridine-4-carboxylic acid
CID 89474862
2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 122629206
2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-4-carboxylic acid
CID 89474863

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid (CID 114324425) is 2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Cn2cccc2)c1.
What is the InChIKey of 2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid?
The InChIKey is BAZPLYLCONXNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(15)9-3-4-12-10(7-9)8-13-5-1-2-6-13/h1-7H,8H2,(H,14,15).
What are the key properties of 2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid?
2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114324425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).