3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C14H10ClFN4O — CID 89151606

IUPAC3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F
InChIInChI=1S/C14H10ClFN4O/c15-9-1-2-10(17)12(16)11(9)14(21)20-8-5-7-3-4-18-13(7)19-6-8/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyXDYRHQGWSFBAIR-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.19
Rot. Bonds2

About 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 89151606) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID89151606
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F
InChIInChI=1S/C14H10ClFN4O/c15-9-1-2-10(17)12(16)11(9)14(21)20-8-5-7-3-4-18-13(7)19-6-8/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyXDYRHQGWSFBAIR-UHFFFAOYSA-N
XLogP3.19
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 56675551
2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 25122284
3-(chloromethylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 58251997
5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
CID 174936745
2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide
CID 24811698
2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70866161
(3-amino-6-chloro-2-fluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68669752
2-chloro-5-[(2,4-difluorobenzoyl)-(difluoromethyl)amino]-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 24811799
4-chloro-1-N-[3-(2-cyanopropan-2-yl)phenyl]-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
CID 24812016
4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70931081
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
(3-amino-6-chloro-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68751735

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 89151606) is 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F.
What is the InChIKey of 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is XDYRHQGWSFBAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-9-1-2-10(17)12(16)11(9)14(21)20-8-5-7-3-4-18-13(7)19-6-8/h1-6H,17H2,(H,18,19)(H,20,21).
What are the key properties of 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 304.71 g/mol, XLogP of 3.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 89151606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).