(5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone

C12H8ClFN2O — CID 116605357

IUPAC(5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(Cl)cc2F)nc1
InChIInChI=1S/C12H8ClFN2O/c13-7-1-3-9(10(14)5-7)12(17)11-4-2-8(15)6-16-11/h1-6H,15H2
InChIKeyNEMZVAFHWOSMKG-UHFFFAOYSA-N
MW250.66 g/mol
LogP2.69
Rot. Bonds2

About (5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone

(5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone (PubChem CID 116605357) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone
PubChem CID116605357
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC Name(5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(Cl)cc2F)nc1
InChIInChI=1S/C12H8ClFN2O/c13-7-1-3-9(10(14)5-7)12(17)11-4-2-8(15)6-16-11/h1-6H,15H2
InChIKeyNEMZVAFHWOSMKG-UHFFFAOYSA-N
XLogP2.69
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone
CID 116605258
(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone
CID 116605281
(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone
CID 106647263
5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684
(5-amino-2-pyridinyl)-(2-methylphenyl)methanone
CID 116605299
5-amino-N-(2,6-dichloro-4-fluorophenyl)pyridine-2-carboxamide
CID 83076458
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81312479
(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone
CID 63939195
(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 116581480
(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone
CID 116605219

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone (CID 116605357) is (5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone is Nc1ccc(C(=O)c2ccc(Cl)cc2F)nc1.
What is the InChIKey of (5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is NEMZVAFHWOSMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-7-1-3-9(10(14)5-7)12(17)11-4-2-8(15)6-16-11/h1-6H,15H2.
What are the key properties of (5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone?
(5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 250.66 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 116605357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).