(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone

C12H7Cl3N2O — CID 81492506

IUPAC(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone
SMILESNc1ncc(Cl)cc1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl3N2O/c13-7-4-8(12(16)17-5-7)11(18)6-1-2-9(14)10(15)3-6/h1-5H,(H2,16,17)
InChIKeyFCQXTRZQBJDKKQ-UHFFFAOYSA-N
MW301.56 g/mol
LogP3.86
Rot. Bonds2

About (2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone

(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone (PubChem CID 81492506) has the molecular formula C12H7Cl3N2O and a molecular weight of 301.56 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone
PubChem CID81492506
Molecular FormulaC12H7Cl3N2O
Molecular Weight301.56 g/mol
Exact Mass299.96
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone
SMILESNc1ncc(Cl)cc1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl3N2O/c13-7-4-8(12(16)17-5-7)11(18)6-1-2-9(14)10(15)3-6/h1-5H,(H2,16,17)
InChIKeyFCQXTRZQBJDKKQ-UHFFFAOYSA-N
XLogP3.86
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-chloro-3-pyridinyl)-(3-chloro-2-fluorophenyl)methanone
CID 64712250
(2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone
CID 66425614
(4-amino-2-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
CID 112736179
(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
CID 116591815
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914
(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 65195804
(2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone
CID 107923818
1-(2-amino-5-chloro-3-pyridinyl)-2-methylprop-2-en-1-one
CID 103446437
(2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone
CID 103450525
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 113254913
4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one
CID 116553290

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone (CID 81492506) is (2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone is Nc1ncc(Cl)cc1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone?
The InChIKey is FCQXTRZQBJDKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O/c13-7-4-8(12(16)17-5-7)11(18)6-1-2-9(14)10(15)3-6/h1-5H,(H2,16,17).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone?
(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone has a molecular weight of 301.56 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 81492506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).