Basic information
- CAS
175135-86-1- Standard SMILES
O=C(O)c1ccc(-n2cccc2)nc1- InChIKey
GXLGOBAHBJQAJB-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- 6-(1H-Pyrrol-1-yl)nicotinic acid
- IUPAC
- 6-pyrrol-1-ylpyridine-3-carboxylic acid
- English name
- 6-(1H-Pyrrol-1-yl)pyridine-3-carboxylic acid
- Molecular formula
- C10H8N2O2
- Molecular weight
- 188.18
Names & synonyms
6-(1H-Pyrrol-1-yl)nicotinic acid175135-86-16-(1H-Pyrrol-1-yl)pyridine-3-carboxylic acid6-pyrrol-1-ylpyridine-3-carboxylic AcidMFCD000678436-pyrrol-1-yl-nicotinic acidSCHEMBL2270390DTXSID60377301GXLGOBAHBJQAJB-UHFFFAOYSA-NAHA135866-pyrrolylpyridine-3-carboxylic acidSBB052967
Show more names
6-(Pyrrol-1-yl)nicotinic acid2-Pyrrolopyridine-5-carboxylic acid6-(1H-pyrrol-1-yl)-3-Pyridine carboxylic acid3-Pyridinecarboxylic acid, 6-(1H-pyrrol-1-yl)-6-(1H-Pyrrol-1-yl)pyridine-3-carboxylic acid, 1-(5-Carboxypyridin-2-yl)-1H-pyrrole6-(1H-Pyrrol-1-yl)pyridine-3-carboxylic acid, 1-(3-Carboxypyridin-6-yl)-1H-pyrrole
AKOS005070727SB62210SY081501DB-064988CS-0448441EN300-102964G761935Y-0705
Database identifiers
- CAS
175135-86-1- PubChem CID
- 2764100
- DTXSID
DTXSID60377301- EC Number
- 885-474-4
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 289 · 289-291°
- Boiling point
- 387.7 · 387.7±27.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.1 · 3.10±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海百韧生物科技有限公司13564638271 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
4 records
Compound notes
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