(3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone

C12H9ClN2O2 — CID 119085248

IUPAC(3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2nccnc2Cl)c1
InChIInChI=1S/C12H9ClN2O2/c1-17-9-4-2-3-8(7-9)11(16)10-12(13)15-6-5-14-10/h2-7H,1H3
InChIKeyYAAGOVUNAPCEAQ-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.37
Rot. Bonds3

About (3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone

(3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone (PubChem CID 119085248) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone
PubChem CID119085248
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name(3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2nccnc2Cl)c1
InChIInChI=1S/C12H9ClN2O2/c1-17-9-4-2-3-8(7-9)11(16)10-12(13)15-6-5-14-10/h2-7H,1H3
InChIKeyYAAGOVUNAPCEAQ-UHFFFAOYSA-N
XLogP2.37
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514846
(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone
CID 139998060
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(3-chloro-2-methylphenyl)-(3-methoxyphenyl)methanone
CID 103693734
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
2-chloro-1-(3-methoxyphenyl)propan-1-one
CID 45080933
6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid
CID 57390973
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459
(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone (CID 119085248) is (3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2nccnc2Cl)c1.
What is the InChIKey of (3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone?
The InChIKey is YAAGOVUNAPCEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-17-9-4-2-3-8(7-9)11(16)10-12(13)15-6-5-14-10/h2-7H,1H3.
What are the key properties of (3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone?
(3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone has a molecular weight of 248.67 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 119085248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).