(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone

C15H14ClNO2 — CID 139998072

IUPAC(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)c2cccnc2Cl)c1
InChIInChI=1S/C15H14ClNO2/c1-2-9-19-12-6-3-5-11(10-12)14(18)13-7-4-8-17-15(13)16/h3-8,10H,2,9H2,1H3
InChIKeyFFDWPIGHBXZCKB-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.75
Rot. Bonds5

About (2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone

(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone (PubChem CID 139998072) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
PubChem CID139998072
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)c2cccnc2Cl)c1
InChIInChI=1S/C15H14ClNO2/c1-2-9-19-12-6-3-5-11(10-12)14(18)13-7-4-8-17-15(13)16/h3-8,10H,2,9H2,1H3
InChIKeyFFDWPIGHBXZCKB-UHFFFAOYSA-N
XLogP3.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
[2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone
CID 139998122
(3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone
CID 106647344
(2,4-difluorophenyl)-(3-propoxyphenyl)methanone
CID 62920519
(2,5-dibromothiophen-3-yl)-(3-propoxyphenyl)methanone
CID 63491827
3-propoxybenzamide
CID 22311435
(3-propoxyphenyl)-(3-propylphenyl)methanone
CID 115812256
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
(2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone
CID 105097019
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094
(5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone
CID 63490601
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
CID 61041501

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone (CID 139998072) is (2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)c2cccnc2Cl)c1.
What is the InChIKey of (2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone?
The InChIKey is FFDWPIGHBXZCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-2-9-19-12-6-3-5-11(10-12)14(18)13-7-4-8-17-15(13)16/h3-8,10H,2,9H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone?
(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone has a molecular weight of 275.74 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone is sourced from PubChem (CID 139998072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).