Basic information
- CAS
170831-25-1- Standard SMILES
O=C(O)Nc1cccnc1- InChIKey
LOGAFLFGWNBIIG-UHFFFAOYSA-N- Molecular formula
- C6H6N2O2
- Average molar mass
- 138.12 g/mol
- Monoisotopic mass
- 138.04292744
Names & identifiers
- Preferred name
- Pyridin-3-ylcarbamic acid
- IUPAC
- pyridin-3-ylcarbamic acid
- English name
- Carbamic acid, 3-pyridinyl- (9CI)
- Molecular formula
- C6H6N2O2
- Molecular weight
- 138.12
Names & synonyms
PYRIDIN-3-YLCARBAMIC ACID170831-25-1Carbamic acid, 3-pyridinyl- (9CI)N-3-pyridinyl-Carbamic acidCarbamic acid, 3-pyridinyl-SCHEMBL967245SCHEMBL6062650SCHEMBL11213715DB-275215Carbamic acid, N-3-pyridinyl-
Database identifiers
- CAS
170831-25-1- PubChem CID
- 17901237
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Density
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.41(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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