(2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone

C18H12ClNO2 — CID 175689937

IUPAC(2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1ccc(Oc2ccccc2)cc1Cl
InChIInChI=1S/C18H12ClNO2/c19-17-11-15(22-14-6-2-1-3-7-14)8-9-16(17)18(21)13-5-4-10-20-12-13/h1-12H
InChIKeyGGNMBIUOBSWKLZ-UHFFFAOYSA-N
MW309.75 g/mol
LogP4.76
Rot. Bonds4

About (2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone

(2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone (PubChem CID 175689937) has the molecular formula C18H12ClNO2 and a molecular weight of 309.75 g/mol. Its IUPAC name is (2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone
PubChem CID175689937
Molecular FormulaC18H12ClNO2
Molecular Weight309.75 g/mol
Exact Mass309.06
IUPAC Name(2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1ccc(Oc2ccccc2)cc1Cl
InChIInChI=1S/C18H12ClNO2/c19-17-11-15(22-14-6-2-1-3-7-14)8-9-16(17)18(21)13-5-4-10-20-12-13/h1-12H
InChIKeyGGNMBIUOBSWKLZ-UHFFFAOYSA-N
XLogP4.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid
CID 67343472
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
4-chloro-2-(pyridine-3-carbonyl)benzamide
CID 68547822
4-pyridin-3-yloxybenzoic acid
CID 22261667
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622134
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
2-chloro-4-quinolin-7-yloxybenzoic acid
CID 107315358
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one
CID 43457490

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone?
The IUPAC name of (2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone (CID 175689937) is (2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1ccc(Oc2ccccc2)cc1Cl.
What is the InChIKey of (2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone?
The InChIKey is GGNMBIUOBSWKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO2/c19-17-11-15(22-14-6-2-1-3-7-14)8-9-16(17)18(21)13-5-4-10-20-12-13/h1-12H.
What are the key properties of (2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone?
(2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone has a molecular weight of 309.75 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 175689937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).