2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one

C7H7ClF2N2O — CID 130072382

IUPAC2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one
SMILESNCc1[nH]cc(C(F)F)c(=O)c1Cl
InChIInChI=1S/C7H7ClF2N2O/c8-5-4(1-11)12-2-3(6(5)13)7(9)10/h2,7H,1,11H2,(H,12,13)
InChIKeyVCOADENMLGUXAI-UHFFFAOYSA-N
MW208.59 g/mol
LogP1.42
Rot. Bonds2

About 2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one

2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one (PubChem CID 130072382) has the molecular formula C7H7ClF2N2O and a molecular weight of 208.59 g/mol. Its IUPAC name is 2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one
PubChem CID130072382
Molecular FormulaC7H7ClF2N2O
Molecular Weight208.59 g/mol
Exact Mass208.02
IUPAC Name2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one
SMILESNCc1[nH]cc(C(F)F)c(=O)c1Cl
InChIInChI=1S/C7H7ClF2N2O/c8-5-4(1-11)12-2-3(6(5)13)7(9)10/h2,7H,1,11H2,(H,12,13)
InChIKeyVCOADENMLGUXAI-UHFFFAOYSA-N
XLogP1.42
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one (CID 130072382) is 2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one is NCc1[nH]cc(C(F)F)c(=O)c1Cl.
What is the InChIKey of 2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one?
The InChIKey is VCOADENMLGUXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O/c8-5-4(1-11)12-2-3(6(5)13)7(9)10/h2,7H,1,11H2,(H,12,13).
What are the key properties of 2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one?
2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one has a molecular weight of 208.59 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130072382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).