3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine

C14H10BrFN2 — CID 170986154

IUPAC3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine
SMILESFc1cccc(Cn2cc(Br)c3ccncc32)c1
InChIInChI=1S/C14H10BrFN2/c15-13-9-18(14-7-17-5-4-12(13)14)8-10-2-1-3-11(16)6-10/h1-7,9H,8H2
InChIKeySSMQDZGVVJOXJP-UHFFFAOYSA-N
MW305.15 g/mol
LogP3.99
Rot. Bonds2

About 3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine

3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine (PubChem CID 170986154) has the molecular formula C14H10BrFN2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine
PubChem CID170986154
Molecular FormulaC14H10BrFN2
Molecular Weight305.15 g/mol
Exact Mass304.00
IUPAC Name3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine
SMILESFc1cccc(Cn2cc(Br)c3ccncc32)c1
InChIInChI=1S/C14H10BrFN2/c15-13-9-18(14-7-17-5-4-12(13)14)8-10-2-1-3-11(16)6-10/h1-7,9H,8H2
InChIKeySSMQDZGVVJOXJP-UHFFFAOYSA-N
XLogP3.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114717841
5-bromo-1-[(3-fluorophenyl)methyl]indole-3-carbaldehyde
CID 4517038
1-benzyl-3-fluoropyrrolo[3,2-c]pyridine
CID 176809957
3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine
CID 69217778
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole
CID 5077989
2-[4-bromo-1-[(3-fluorophenyl)methyl]indol-3-yl]-2-oxoacetaldehyde
CID 174548800
1,1,1-trifluoro-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]-5-pyridin-3-ylpentan-2-ol
CID 141173562
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole
CID 91389513
methyl 3-cyano-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxylate
CID 175897890
1-[(3-fluorophenyl)methyl]triazole
CID 12811470

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine (CID 170986154) is 3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine is Fc1cccc(Cn2cc(Br)c3ccncc32)c1.
What is the InChIKey of 3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine?
The InChIKey is SSMQDZGVVJOXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2/c15-13-9-18(14-7-17-5-4-12(13)14)8-10-2-1-3-11(16)6-10/h1-7,9H,8H2.
What are the key properties of 3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine?
3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine has a molecular weight of 305.15 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 170986154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).