2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide

C10H10Cl2N2O2 — CID 106994379

IUPAC2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H10Cl2N2O2/c11-7-2-1-6(8(12)13-7)9(16)14-10(5-15)3-4-10/h1-2,15H,3-5H2,(H,14,16)
InChIKeyJGNFDJDWZNUOGN-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.64
Rot. Bonds3

About 2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide

2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide (PubChem CID 106994379) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
PubChem CID106994379
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H10Cl2N2O2/c11-7-2-1-6(8(12)13-7)9(16)14-10(5-15)3-4-10/h1-2,15H,3-5H2,(H,14,16)
InChIKeyJGNFDJDWZNUOGN-UHFFFAOYSA-N
XLogP1.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide
CID 103721956
2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 106994170
3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
CID 115878600
2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide
CID 114113552
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
CID 104630360
2,6-dichloro-N-(3-cyanothiolan-3-yl)pyridine-3-carboxamide
CID 103772029
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide
CID 62517076
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 113337541
6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114093940
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide (CID 106994379) is 2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide is O=C(NC1(CO)CC1)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide?
The InChIKey is JGNFDJDWZNUOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c11-7-2-1-6(8(12)13-7)9(16)14-10(5-15)3-4-10/h1-2,15H,3-5H2,(H,14,16).
What are the key properties of 2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide?
2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide has a molecular weight of 261.11 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 106994379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).