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

C14H12ClNO3 — CID 58452562

IUPAC(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)c(OC)n2)cc1
InChIInChI=1S/C14H12ClNO3/c1-18-10-5-3-9(4-6-10)13(17)12-8-7-11(15)14(16-12)19-2/h3-8H,1-2H3
InChIKeyDDWBTQXHBQVETC-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.98
Rot. Bonds4

About (5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone

(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone (PubChem CID 58452562) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is (5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone
PubChem CID58452562
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)c(OC)n2)cc1
InChIInChI=1S/C14H12ClNO3/c1-18-10-5-3-9(4-6-10)13(17)12-8-7-11(15)14(16-12)19-2/h3-8H,1-2H3
InChIKeyDDWBTQXHBQVETC-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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Related Compounds

(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanone
CID 67398819
(5-chloro-6-methoxy-2-pyridinyl)-[4-(3-methylbutoxymethyl)phenyl]methanone
CID 58452738
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone
CID 67398382
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
(6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone
CID 58452801
(5-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 79723230
(3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
CID 58452587
2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride
CID 58107445
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide
CID 122371137
(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone
CID 170712986

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone (CID 58452562) is (5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(Cl)c(OC)n2)cc1.
What is the InChIKey of (5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone?
The InChIKey is DDWBTQXHBQVETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-18-10-5-3-9(4-6-10)13(17)12-8-7-11(15)14(16-12)19-2/h3-8H,1-2H3.
What are the key properties of (5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone?
(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)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 (5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 58452562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).