6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid

C10H11ClN2O2 — CID 141403096

IUPAC6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)c2cc(Cl)cnc21
InChIInChI=1S/C10H11ClN2O2/c1-10(2)5-13(9(14)15)7-3-6(11)4-12-8(7)10/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyHUFXRQNJXXKXIZ-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.51
Rot. Bonds

About 6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid

6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid (PubChem CID 141403096) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
PubChem CID141403096
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)c2cc(Cl)cnc21
InChIInChI=1S/C10H11ClN2O2/c1-10(2)5-13(9(14)15)7-3-6(11)4-12-8(7)10/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyHUFXRQNJXXKXIZ-UHFFFAOYSA-N
XLogP2.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 4-chloro-5H-pyrrolo(3,4-b)pyridine-6(7H)-carboxylate
CID 66995010
tert-butyl 4-chloro-5H,6H,7H-pyrrolo[3,4-b]pyridine-6-carboxylate
CID 72214601
6-(1,1-difluoroethyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
CID 70979773
6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
CID 70980133
6-(1,1-difluorobutyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
CID 70980188
6-[(2-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
CID 70980236
6-(2-cyclopropyl-1,1-difluoroethyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
CID 70980357
6-[cyclobutyl(difluoro)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
CID 70980508
Tert-butyl-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl]carbamic acid
CID 90388949
2-(5-Chloro-3-fluoro-2-pyridinyl)propan-2-yl-methylcarbamic acid
CID 138697413
[2-Chloro-5-(trifluoromethyl)-3-pyridinyl]-methylcarbamic acid
CID 155230671
6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde
CID 171058354

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid?
The IUPAC name of 6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid (CID 141403096) is 6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid?
The canonical SMILES for 6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid is CC1(C)CN(C(=O)O)c2cc(Cl)cnc21.
What is the InChIKey of 6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid?
The InChIKey is HUFXRQNJXXKXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-10(2)5-13(9(14)15)7-3-6(11)4-12-8(7)10/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid?
6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid is sourced from PubChem (CID 141403096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).