(2-amino-6-chlorophenyl)-pyridin-2-ylmethanone

C12H9ClN2O — CID 118847428

IUPAC(2-amino-6-chlorophenyl)-pyridin-2-ylmethanone
SMILESNc1cccc(Cl)c1C(=O)c1ccccn1
InChIInChI=1S/C12H9ClN2O/c13-8-4-3-5-9(14)11(8)12(16)10-6-1-2-7-15-10/h1-7H,14H2
InChIKeyQGNHRFVOWCMPTG-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.55
Rot. Bonds2

About (2-amino-6-chlorophenyl)-pyridin-2-ylmethanone

(2-amino-6-chlorophenyl)-pyridin-2-ylmethanone (PubChem CID 118847428) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is (2-amino-6-chlorophenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2-amino-6-chlorophenyl)-pyridin-2-ylmethanone
PubChem CID118847428
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name(2-amino-6-chlorophenyl)-pyridin-2-ylmethanone
SMILESNc1cccc(Cl)c1C(=O)c1ccccn1
InChIInChI=1S/C12H9ClN2O/c13-8-4-3-5-9(14)11(8)12(16)10-6-1-2-7-15-10/h1-7H,14H2
InChIKeyQGNHRFVOWCMPTG-UHFFFAOYSA-N
XLogP2.55
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone
CID 118802407
[2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118808095
(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 118853196
(2-amino-3-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118841909
(3,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 24723586
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
N'-(2,6-dichlorophenyl)pyridine-2-carbohydrazide
CID 127034375
(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
[3-chloro-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847905
acetic acid;2-amino-6-chlorobenzoic acid
CID 175066849
CID 173156131
CID 173156131
(2-amino-6-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430902

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chlorophenyl)-pyridin-2-ylmethanone?
The IUPAC name of (2-amino-6-chlorophenyl)-pyridin-2-ylmethanone (CID 118847428) is (2-amino-6-chlorophenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2-amino-6-chlorophenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (2-amino-6-chlorophenyl)-pyridin-2-ylmethanone is Nc1cccc(Cl)c1C(=O)c1ccccn1.
What is the InChIKey of (2-amino-6-chlorophenyl)-pyridin-2-ylmethanone?
The InChIKey is QGNHRFVOWCMPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-8-4-3-5-9(14)11(8)12(16)10-6-1-2-7-15-10/h1-7H,14H2.
What are the key properties of (2-amino-6-chlorophenyl)-pyridin-2-ylmethanone?
(2-amino-6-chlorophenyl)-pyridin-2-ylmethanone has a molecular weight of 232.67 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chlorophenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 118847428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).