N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide

C13H10ClF2N3O2 — CID 8893297

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cn1
InChIInChI=1S/C13H10ClF2N3O2/c1-7-5-18-10(6-17-7)12(20)19-8-2-3-11(9(14)4-8)21-13(15)16/h2-6,13H,1H3,(H,19,20)
InChIKeyYLRYXQXBKNEKSV-UHFFFAOYSA-N
MW313.69 g/mol
LogP3.29
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 8893297) has the molecular formula C13H10ClF2N3O2 and a molecular weight of 313.69 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
PubChem CID8893297
Molecular FormulaC13H10ClF2N3O2
Molecular Weight313.69 g/mol
Exact Mass313.04
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cn1
InChIInChI=1S/C13H10ClF2N3O2/c1-7-5-18-10(6-17-7)12(20)19-8-2-3-11(9(14)4-8)21-13(15)16/h2-6,13H,1H3,(H,19,20)
InChIKeyYLRYXQXBKNEKSV-UHFFFAOYSA-N
XLogP3.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide (CID 8893297) is N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cn1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is YLRYXQXBKNEKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N3O2/c1-7-5-18-10(6-17-7)12(20)19-8-2-3-11(9(14)4-8)21-13(15)16/h2-6,13H,1H3,(H,19,20).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 313.69 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 8893297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).