(6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone

C10H7ClN2O — CID 130528741

IUPAC(6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)c1ccc[nH]1
InChIInChI=1S/C10H7ClN2O/c11-9-4-3-7(6-13-9)10(14)8-2-1-5-12-8/h1-6,12H
InChIKeyATEPKJNDIXXFKN-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.29
Rot. Bonds2

About (6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone

(6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone (PubChem CID 130528741) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
PubChem CID130528741
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name(6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)c1ccc[nH]1
InChIInChI=1S/C10H7ClN2O/c11-9-4-3-7(6-13-9)10(14)8-2-1-5-12-8/h1-6,12H
InChIKeyATEPKJNDIXXFKN-UHFFFAOYSA-N
XLogP2.29
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
CID 130594883
4-(1H-pyrrole-2-carbonyl)benzoic acid
CID 86245125
(3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 82874621
(4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone
CID 82786984
(6-chloro-3-pyridinyl)-(furan-2-yl)methanone
CID 24723376
6-chloropyridine-3-carboxylate
CID 6933309
naphthalen-2-yl(1H-pyrrol-2-yl)methanone
CID 63749786
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone
CID 116505677
(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 105394341
6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
CID 158925044
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrrol-2-yl)methanone
CID 63750334

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone (CID 130528741) is (6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone is O=C(c1ccc(Cl)nc1)c1ccc[nH]1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is ATEPKJNDIXXFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-9-4-3-7(6-13-9)10(14)8-2-1-5-12-8/h1-6,12H.
What are the key properties of (6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone?
(6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 206.63 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 130528741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).