2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid

C9H6BrFN2O2 — CID 174463738

IUPAC2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2c(Br)ncc(F)c12
InChIInChI=1S/C9H6BrFN2O2/c10-9-8-7(5(11)3-13-9)4(2-12-8)1-6(14)15/h2-3,12H,1H2,(H,14,15)
InChIKeyIGTNNLRRTPTMHA-UHFFFAOYSA-N
MW273.06 g/mol
LogP2.09
Rot. Bonds2

About 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid

2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid (PubChem CID 174463738) has the molecular formula C9H6BrFN2O2 and a molecular weight of 273.06 g/mol. Its IUPAC name is 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid
PubChem CID174463738
Molecular FormulaC9H6BrFN2O2
Molecular Weight273.06 g/mol
Exact Mass271.96
IUPAC Name2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2c(Br)ncc(F)c12
InChIInChI=1S/C9H6BrFN2O2/c10-9-8-7(5(11)3-13-9)4(2-12-8)1-6(14)15/h2-3,12H,1H2,(H,14,15)
InChIKeyIGTNNLRRTPTMHA-UHFFFAOYSA-N
XLogP2.09
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

potassium 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate
CID 59693877
CID 89320198
CID 89320198
2-[6-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetic acid
CID 119011277
2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118997990
2-bromo-5-fluoro-3-methylpyridine-4-carboxylic acid
CID 167728562
2-(4,7-dimethyl-1H-indol-3-yl)acetic acid
CID 22751
2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid
CID 118833328
2-[4,6-dibromo-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119024098
2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid
CID 130902433
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
3-(7-cyano-4-fluoro-1H-indol-3-yl)propanoic acid
CID 123798943
2-(2-bromopyrimidin-5-yl)acetic acid
CID 119023982

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid (CID 174463738) is 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid is O=C(O)Cc1c[nH]c2c(Br)ncc(F)c12.
What is the InChIKey of 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid?
The InChIKey is IGTNNLRRTPTMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2/c10-9-8-7(5(11)3-13-9)4(2-12-8)1-6(14)15/h2-3,12H,1H2,(H,14,15).
What are the key properties of 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid?
2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid has a molecular weight of 273.06 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid is sourced from PubChem (CID 174463738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).