(2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone

C13H9ClF2N2O2 — CID 58590826

IUPAC(2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone
SMILESCOc1ccc(F)c(F)c1C(=O)c1ccc(Cl)nc1N
InChIInChI=1S/C13H9ClF2N2O2/c1-20-8-4-3-7(15)11(16)10(8)12(19)6-2-5-9(14)18-13(6)17/h2-5H,1H3,(H2,17,18)
InChIKeyCIGARVBMXIABLP-UHFFFAOYSA-N
MW298.68 g/mol
LogP2.84
Rot. Bonds3

About (2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone

(2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone (PubChem CID 58590826) has the molecular formula C13H9ClF2N2O2 and a molecular weight of 298.68 g/mol. Its IUPAC name is (2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone
PubChem CID58590826
Molecular FormulaC13H9ClF2N2O2
Molecular Weight298.68 g/mol
Exact Mass298.03
IUPAC Name(2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone
SMILESCOc1ccc(F)c(F)c1C(=O)c1ccc(Cl)nc1N
InChIInChI=1S/C13H9ClF2N2O2/c1-20-8-4-3-7(15)11(16)10(8)12(19)6-2-5-9(14)18-13(6)17/h2-5H,1H3,(H2,17,18)
InChIKeyCIGARVBMXIABLP-UHFFFAOYSA-N
XLogP2.84
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone with MolForge

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Related Compounds

3-[[4-amino-5-(2,3-difluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]azetidine-1-carboxylic acid
CID 21070514
[4-amino-2-[[4-(dimethylamino)cyclohexyl]amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
CID 21070492
4-[[4-amino-5-(2,3-difluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carbaldehyde
CID 10363028
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(3-fluoro-6-methoxy-2-methylphenyl)methanone
CID 21070580
2-amino-6-chloropyridine-3-carboxamide
CID 22607643
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846
(2-amino-6-chloro-3-pyridinyl) acetate
CID 143445346
CID 88999246
CID 88999246
(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 79773205
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
1-(6-chloro-3-methoxy-2-pyridinyl)ethanone
CID 119004175

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone?
The IUPAC name of (2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone (CID 58590826) is (2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone.
What is the SMILES notation for (2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone?
The canonical SMILES for (2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone is COc1ccc(F)c(F)c1C(=O)c1ccc(Cl)nc1N.
What is the InChIKey of (2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone?
The InChIKey is CIGARVBMXIABLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O2/c1-20-8-4-3-7(15)11(16)10(8)12(19)6-2-5-9(14)18-13(6)17/h2-5H,1H3,(H2,17,18).
What are the key properties of (2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone?
(2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone has a molecular weight of 298.68 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone is sourced from PubChem (CID 58590826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).