4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline

C15H14FN3O — CID 66415463

IUPAC4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
SMILESCOc1cc(F)ccc1NCc1c[nH]c2ncccc12
InChIInChI=1S/C15H14FN3O/c1-20-14-7-11(16)4-5-13(14)18-8-10-9-19-15-12(10)3-2-6-17-15/h2-7,9,18H,8H2,1H3,(H,17,19)
InChIKeyVXRWWAPIRGNNNF-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.32
Rot. Bonds4

About 4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline

4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline (PubChem CID 66415463) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
PubChem CID66415463
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
SMILESCOc1cc(F)ccc1NCc1c[nH]c2ncccc12
InChIInChI=1S/C15H14FN3O/c1-20-14-7-11(16)4-5-13(14)18-8-10-9-19-15-12(10)3-2-6-17-15/h2-7,9,18H,8H2,1H3,(H,17,19)
InChIKeyVXRWWAPIRGNNNF-UHFFFAOYSA-N
XLogP3.32
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414633
2,5-difluoro-4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 103584688
4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650115
4-chloro-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416780
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
N-[(2,5-difluorophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144431
3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416795
2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414248
3,5-dichloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 107572383
4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine
CID 66415295
4-bromo-2-chloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415619
2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415020

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline (CID 66415463) is 4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline is COc1cc(F)ccc1NCc1c[nH]c2ncccc12.
What is the InChIKey of 4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
The InChIKey is VXRWWAPIRGNNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-20-14-7-11(16)4-5-13(14)18-8-10-9-19-15-12(10)3-2-6-17-15/h2-7,9,18H,8H2,1H3,(H,17,19).
What are the key properties of 4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline has a molecular weight of 271.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 66415463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).