(6-chloro-2-pyridinyl)-phenylmethanone

C12H8ClNO — CID 14023163

IUPAC(6-chloro-2-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(Cl)n1
InChIInChI=1S/C12H8ClNO/c13-11-8-4-7-10(14-11)12(15)9-5-2-1-3-6-9/h1-8H
InChIKeyFHMNNZHWPHLRTN-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.97
Rot. Bonds2

About (6-chloro-2-pyridinyl)-phenylmethanone

(6-chloro-2-pyridinyl)-phenylmethanone (PubChem CID 14023163) has the molecular formula C12H8ClNO and a molecular weight of 217.66 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)-phenylmethanone
PubChem CID14023163
Molecular FormulaC12H8ClNO
Molecular Weight217.66 g/mol
Exact Mass217.03
IUPAC Name(6-chloro-2-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(Cl)n1
InChIInChI=1S/C12H8ClNO/c13-11-8-4-7-10(14-11)12(15)9-5-2-1-3-6-9/h1-8H
InChIKeyFHMNNZHWPHLRTN-UHFFFAOYSA-N
XLogP2.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridinyl)-phenylmethanone?
The IUPAC name of (6-chloro-2-pyridinyl)-phenylmethanone (CID 14023163) is (6-chloro-2-pyridinyl)-phenylmethanone.
What is the SMILES notation for (6-chloro-2-pyridinyl)-phenylmethanone?
The canonical SMILES for (6-chloro-2-pyridinyl)-phenylmethanone is O=C(c1ccccc1)c1cccc(Cl)n1.
What is the InChIKey of (6-chloro-2-pyridinyl)-phenylmethanone?
The InChIKey is FHMNNZHWPHLRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO/c13-11-8-4-7-10(14-11)12(15)9-5-2-1-3-6-9/h1-8H.
What are the key properties of (6-chloro-2-pyridinyl)-phenylmethanone?
(6-chloro-2-pyridinyl)-phenylmethanone has a molecular weight of 217.66 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)-phenylmethanone is sourced from PubChem (CID 14023163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).