2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline

C14H11F2N3 — CID 66414248

IUPAC2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
SMILESFc1cccc(F)c1NCc1c[nH]c2ncccc12
InChIInChI=1S/C14H11F2N3/c15-11-4-1-5-12(16)13(11)18-7-9-8-19-14-10(9)3-2-6-17-14/h1-6,8,18H,7H2,(H,17,19)
InChIKeyBCBODDPSIAYOOT-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.45
Rot. Bonds3

About 2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline

2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline (PubChem CID 66414248) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
PubChem CID66414248
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
SMILESFc1cccc(F)c1NCc1c[nH]c2ncccc12
InChIInChI=1S/C14H11F2N3/c15-11-4-1-5-12(16)13(11)18-7-9-8-19-14-10(9)3-2-6-17-14/h1-6,8,18H,7H2,(H,17,19)
InChIKeyBCBODDPSIAYOOT-UHFFFAOYSA-N
XLogP3.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416280
3,5-dichloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 107572383
2,5-difluoro-4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 103584688
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine
CID 107587617
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 75379833
2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415020
3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416795
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415463
4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine
CID 66415295
4-chloro-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416780

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
The IUPAC name of 2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline (CID 66414248) is 2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline is Fc1cccc(F)c1NCc1c[nH]c2ncccc12.
What is the InChIKey of 2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
The InChIKey is BCBODDPSIAYOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-11-4-1-5-12(16)13(11)18-7-9-8-19-14-10(9)3-2-6-17-14/h1-6,8,18H,7H2,(H,17,19).
What are the key properties of 2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline has a molecular weight of 259.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 66414248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).