5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide

C14H12ClF2N3O — CID 58150004

IUPAC5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1\c(C(N)=O)cc(Cl)cn1[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C14H12ClF2N3O/c1-7(10-3-2-9(16)5-12(10)17)20-6-8(15)4-11(13(20)18)14(19)21/h2-7,18H,1H3,(H2,19,21)/b18-13+/t7-/m1/s1
InChIKeyDHFOKTLNDVXCGR-CLYJULNISA-N
MW311.72 g/mol
LogP2.61
Rot. Bonds3

About 5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide

5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide (PubChem CID 58150004) has the molecular formula C14H12ClF2N3O and a molecular weight of 311.72 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide
PubChem CID58150004
Molecular FormulaC14H12ClF2N3O
Molecular Weight311.72 g/mol
Exact Mass311.06
IUPAC Name5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1\c(C(N)=O)cc(Cl)cn1[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C14H12ClF2N3O/c1-7(10-3-2-9(16)5-12(10)17)20-6-8(15)4-11(13(20)18)14(19)21/h2-7,18H,1H3,(H2,19,21)/b18-13+/t7-/m1/s1
InChIKeyDHFOKTLNDVXCGR-CLYJULNISA-N
XLogP2.61
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide (CID 58150004) is 5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide is [H]/N=c1\c(C(N)=O)cc(Cl)cn1[C@H](C)c1ccc(F)cc1F.
What is the InChIKey of 5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide?
The InChIKey is DHFOKTLNDVXCGR-CLYJULNISA-N. The full InChI is InChI=1S/C14H12ClF2N3O/c1-7(10-3-2-9(16)5-12(10)17)20-6-8(15)4-11(13(20)18)14(19)21/h2-7,18H,1H3,(H2,19,21)/b18-13+/t7-/m1/s1.
What are the key properties of 5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide?
5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide has a molecular weight of 311.72 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 58150004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).