(3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone

C14H12ClNO3 — CID 70836286

IUPAC(3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C14H12ClNO3/c1-18-12-7-6-9(8-10(12)15)14(17)11-4-3-5-13(16-11)19-2/h3-8H,1-2H3
InChIKeyQRFSELYCCYUUSY-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.98
Rot. Bonds4

About (3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone

(3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone (PubChem CID 70836286) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone
PubChem CID70836286
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name(3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C14H12ClNO3/c1-18-12-7-6-9(8-10(12)15)14(17)11-4-3-5-13(16-11)19-2/h3-8H,1-2H3
InChIKeyQRFSELYCCYUUSY-UHFFFAOYSA-N
XLogP2.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone (CID 70836286) is (3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone is COc1cccc(C(=O)c2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone?
The InChIKey is QRFSELYCCYUUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-18-12-7-6-9(8-10(12)15)14(17)11-4-3-5-13(16-11)19-2/h3-8H,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone?
(3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone has a molecular weight of 277.71 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 70836286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).