(6-chloro-3-pyridinyl)-(furan-2-yl)methanone

C10H6ClNO2 — CID 24723376

IUPAC(6-chloro-3-pyridinyl)-(furan-2-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)c1ccco1
InChIInChI=1S/C10H6ClNO2/c11-9-4-3-7(6-12-9)10(13)8-2-1-5-14-8/h1-6H
InChIKeyWDQAGVRTKLSCKJ-UHFFFAOYSA-N
MW207.62 g/mol
LogP2.56
Rot. Bonds2

About (6-chloro-3-pyridinyl)-(furan-2-yl)methanone

(6-chloro-3-pyridinyl)-(furan-2-yl)methanone (PubChem CID 24723376) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(furan-2-yl)methanone
PubChem CID24723376
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name(6-chloro-3-pyridinyl)-(furan-2-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)c1ccco1
InChIInChI=1S/C10H6ClNO2/c11-9-4-3-7(6-12-9)10(13)8-2-1-5-14-8/h1-6H
InChIKeyWDQAGVRTKLSCKJ-UHFFFAOYSA-N
XLogP2.56
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-3-pyridinyl)furan-2-carboxamide
CID 54787856
(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
CID 91636318
(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone
CID 116609945
(4-tert-butylphenyl)-(furan-2-yl)methanone
CID 12536587
(6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
CID 130528741
6-chloropyridine-3-carboxylate
CID 6933309
6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 60738011
(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride
CID 70398027
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
2-[4-(furan-2-carbonyl)phenoxy]acetic acid
CID 82086021
(4-chloronaphthalen-1-yl)-(furan-2-yl)methanone
CID 79601314
furan-2-yl-(1-methylpyrrol-3-yl)methanone
CID 82280498

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(furan-2-yl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(furan-2-yl)methanone (CID 24723376) is (6-chloro-3-pyridinyl)-(furan-2-yl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(furan-2-yl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(furan-2-yl)methanone is O=C(c1ccc(Cl)nc1)c1ccco1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(furan-2-yl)methanone?
The InChIKey is WDQAGVRTKLSCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-9-4-3-7(6-12-9)10(13)8-2-1-5-14-8/h1-6H.
What are the key properties of (6-chloro-3-pyridinyl)-(furan-2-yl)methanone?
(6-chloro-3-pyridinyl)-(furan-2-yl)methanone has a molecular weight of 207.62 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(furan-2-yl)methanone is sourced from PubChem (CID 24723376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).