N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

C13H9F2N3 — CID 58086052

IUPACN-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESFc1ccc(Nc2cnc3[nH]ccc3c2)cc1F
InChIInChI=1S/C13H9F2N3/c14-11-2-1-9(6-12(11)15)18-10-5-8-3-4-16-13(8)17-7-10/h1-7,18H,(H,16,17)
InChIKeyFFDCARUPEPNORG-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.58
Rot. Bonds2

About N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 58086052) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID58086052
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC NameN-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESFc1ccc(Nc2cnc3[nH]ccc3c2)cc1F
InChIInChI=1S/C13H9F2N3/c14-11-2-1-9(6-12(11)15)18-10-5-8-3-4-16-13(8)17-7-10/h1-7,18H,(H,16,17)
InChIKeyFFDCARUPEPNORG-UHFFFAOYSA-N
XLogP3.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine
CID 58087251
N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 59506846
6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 169220634
N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 138711418
N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 22273641
N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine
CID 59588914
potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide
CID 71763569
5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)
CID 160915943
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide
CID 166400283
4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol
CID 118672098

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 58086052) is N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is Fc1ccc(Nc2cnc3[nH]ccc3c2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is FFDCARUPEPNORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c14-11-2-1-9(6-12(11)15)18-10-5-8-3-4-16-13(8)17-7-10/h1-7,18H,(H,16,17).
What are the key properties of N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 245.23 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 58086052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).