N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide

C13H10ClN5O — CID 138042469

IUPACN'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide
SMILESO=C(NNc1cccc(Cl)n1)c1ccc2cc[nH]c2n1
InChIInChI=1S/C13H10ClN5O/c14-10-2-1-3-11(17-10)18-19-13(20)9-5-4-8-6-7-15-12(8)16-9/h1-7H,(H,15,16)(H,17,18)(H,19,20)
InChIKeyWITCOJXJPYHFBB-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.37
Rot. Bonds3

About N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide

N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide (PubChem CID 138042469) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide
PubChem CID138042469
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC NameN'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide
SMILESO=C(NNc1cccc(Cl)n1)c1ccc2cc[nH]c2n1
InChIInChI=1S/C13H10ClN5O/c14-10-2-1-3-11(17-10)18-19-13(20)9-5-4-8-6-7-15-12(8)16-9/h1-7H,(H,15,16)(H,17,18)(H,19,20)
InChIKeyWITCOJXJPYHFBB-UHFFFAOYSA-N
XLogP2.37
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-methoxypyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide
CID 138043475
1-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethanone
CID 71743048
1-[(6-chloro-2-pyridinyl)amino]-3-methylurea
CID 901019
2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one
CID 71743078
1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea
CID 901022
1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea
CID 4193262
cyclopropyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 69009468
N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide
CID 1474110
N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 166222428
6-chloro-N-fluoropyridin-2-amine
CID 171556919
N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 115669462
6-chloro-N-[2-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62233103

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide?
The IUPAC name of N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide (CID 138042469) is N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide.
What is the SMILES notation for N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide?
The canonical SMILES for N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide is O=C(NNc1cccc(Cl)n1)c1ccc2cc[nH]c2n1.
What is the InChIKey of N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide?
The InChIKey is WITCOJXJPYHFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-10-2-1-3-11(17-10)18-19-13(20)9-5-4-8-6-7-15-12(8)16-9/h1-7H,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide?
N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide has a molecular weight of 287.71 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide is sourced from PubChem (CID 138042469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).