6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine

C14H13ClN2O — CID 55027626

IUPAC6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
SMILESClc1cccc(NC2CCOc3ccccc32)n1
InChIInChI=1S/C14H13ClN2O/c15-13-6-3-7-14(17-13)16-11-8-9-18-12-5-2-1-4-10(11)12/h1-7,11H,8-9H2,(H,16,17)
InChIKeyVIBAIKFJNCYYME-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.67
Rot. Bonds2

About 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine

6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine (PubChem CID 55027626) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
PubChem CID55027626
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
SMILESClc1cccc(NC2CCOc3ccccc32)n1
InChIInChI=1S/C14H13ClN2O/c15-13-6-3-7-14(17-13)16-11-8-9-18-12-5-2-1-4-10(11)12/h1-7,11H,8-9H2,(H,16,17)
InChIKeyVIBAIKFJNCYYME-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,6-diamine
CID 80647627
2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile
CID 83077158
6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
CID 80801326
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 115474076
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80827015
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine
CID 94158654
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
CID 80826648
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80827118
5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774229
2-N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxypyridine-2,5-diamine
CID 62365052
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine (CID 55027626) is 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine is Clc1cccc(NC2CCOc3ccccc32)n1.
What is the InChIKey of 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine?
The InChIKey is VIBAIKFJNCYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-13-6-3-7-14(17-13)16-11-8-9-18-12-5-2-1-4-10(11)12/h1-7,11H,8-9H2,(H,16,17).
What are the key properties of 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine?
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine has a molecular weight of 260.72 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine is sourced from PubChem (CID 55027626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).