4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline

C21H18FN3 — CID 146253131

IUPAC4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(-c3cc4ccncc4[nH]3)cc2F)cc1
InChIInChI=1S/C21H18FN3/c1-25(2)17-6-3-14(4-7-17)18-8-5-15(11-19(18)22)20-12-16-9-10-23-13-21(16)24-20/h3-13,24H,1-2H3
InChIKeyIWYBQCRJFFFGOV-UHFFFAOYSA-N
MW331.39 g/mol
LogP5.10
Rot. Bonds3

About 4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline

4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline (PubChem CID 146253131) has the molecular formula C21H18FN3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline
PubChem CID146253131
Molecular FormulaC21H18FN3
Molecular Weight331.39 g/mol
Exact Mass331.15
IUPAC Name4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(-c3cc4ccncc4[nH]3)cc2F)cc1
InChIInChI=1S/C21H18FN3/c1-25(2)17-6-3-14(4-7-17)18-8-5-15(11-19(18)22)20-12-16-9-10-23-13-21(16)24-20/h3-13,24H,1-2H3
InChIKeyIWYBQCRJFFFGOV-UHFFFAOYSA-N
XLogP5.10
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine
CID 146253171
2-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 11480986
4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline
CID 166120430
2-[6-fluoro-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine
CID 146253312
2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine
CID 146619016
2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline
CID 146253057
N,N-dimethylisoquinolin-7-amine
CID 82572114
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
trimethyl(1H-pyrrolo[2,3-c]pyridin-2-yl)silane
CID 15350909
2-[4-[4-(dimethylamino)phenyl]-3-fluorophenyl]-6-methylquinoline-4-carbaldehyde
CID 170149113
4-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1,3-thiazole
CID 119090254
4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide
CID 168941024

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline (CID 146253131) is 4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline is CN(C)c1ccc(-c2ccc(-c3cc4ccncc4[nH]3)cc2F)cc1.
What is the InChIKey of 4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline?
The InChIKey is IWYBQCRJFFFGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3/c1-25(2)17-6-3-14(4-7-17)18-8-5-15(11-19(18)22)20-12-16-9-10-23-13-21(16)24-20/h3-13,24H,1-2H3.
What are the key properties of 4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline?
4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline has a molecular weight of 331.39 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline is sourced from PubChem (CID 146253131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).