4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide

C9H8ClN3O — CID 118593207

IUPAC4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCn1ccc2c(Cl)c(C(N)=O)cnc21
InChIInChI=1S/C9H8ClN3O/c1-13-3-2-5-7(10)6(8(11)14)4-12-9(5)13/h2-4H,1H3,(H2,11,14)
InChIKeySBTWANFHTWTOMY-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.33
Rot. Bonds1

About 4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide

4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 118593207) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID118593207
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCn1ccc2c(Cl)c(C(N)=O)cnc21
InChIInChI=1S/C9H8ClN3O/c1-13-3-2-5-7(10)6(8(11)14)4-12-9(5)13/h2-4H,1H3,(H2,11,14)
InChIKeySBTWANFHTWTOMY-UHFFFAOYSA-N
XLogP1.33
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 71258387
6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56896710
4-chloro-5-fluoro-6-methylpyridine-3-carboxamide
CID 167697175
4,6-dichloroquinoline-3-carboxamide
CID 19827987
1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 141014223
1,5-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 59239700
2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide
CID 59441653
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 118833693
ethyl 4-chloro-1-[tri(propan-2-yl)-λ4-sulfanyl]pyrrolo[2,3-b]pyridine-5-carboxylate
CID 137466155
6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 169206112
5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 105486140
4-chloropyridine-3,5-dicarboxamide
CID 151323477

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 118593207) is 4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide is Cn1ccc2c(Cl)c(C(N)=O)cnc21.
What is the InChIKey of 4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is SBTWANFHTWTOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-13-3-2-5-7(10)6(8(11)14)4-12-9(5)13/h2-4H,1H3,(H2,11,14).
What are the key properties of 4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 209.64 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 118593207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).